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SCIGRESS - Publications

SCIGRESS publications (direct):

  • Kelly L. Summers a, AnjanPreet K. Mahrok b, Michael D.M. Dryden b, Martin J. Stillman
    Structural properties of metal-free apometallothioneins
    Biochemical and Biophysical Research Communications 425 (2012) 485–492


Scigress Explorer (CAChe) publications:

  • Feroz Khan, Abha Meena, Ashok Sharma
    QSPR & Docking Based Virtual Screening of Anti-Cancer Leads
    Biobytes, Volume 4, March 2009, Page 43-46

  • A. Altun, K. Golcuk, M. Kumru
    Vibrational and thermal studies of metal(II) [Ni(II), Zn(II) and Cd(II)] iodide m-methylaniline complexes
    Vibrational Spectroscopy, Volume 31, Issue 2, 6 May 2003, Pages 215-225

  • A. Altun, K. Golcuk, M. Kumru
    Vibrational and thermal studies of p-methylaniline complexes with Ni(II), Zn(II) and Cd(II) iodides
    Vibrational Spectroscopy, Volume 33, Issues 1-2, 19 December 2003, Pages 63-74

  • A. Huczynski, I. Binkowska, A. Jarczewski, B. Brzezinski
    Spectroscopic studies of the 1:1 complexes of 4-nitrophenyl[bis(ethylsulfonyl)]methane and phenyl[bis(ethylsulfonyl)]methane with 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene and 1,5,7-triazabicyclo[4.4.0]dec-5-ene
    Journal of Molecular Structure, Volume 841, Issues 1-3, 30 September 2007, Pages 133-136

  • Aakeroy, Christer B. and Peter B. Hitchcock and Kenneth R. Seddon.
    Organic Salts of L-Tartaric Acid: Materials for Second Harmonic Generation with a Crystal Structure Governed by an Anionic Hydrogen-Bonded Network.
    J. Chem. Soc., Chem. Commun., 1992, pp. 553-555.

  • Adam Huczynski, Bogumil Brzezinski, Franz Bartl
    Structures of complexes of benzyl and allyl esters of monensin A with Mg2+, Ca2+, Sr2+, Ba2+ cations studied by ESI-MS and PM5 methods
    Journal of Molecular Structure, In Press, Corrected Proof, Available online 1 November 2007

  • Adam Huczynski, Daniel Łowicki, Bogumil Brzezinski, Franz Bartl
    Spectroscopic, mass spectrometry and semiempirical investigation of a new 2-methoxyethyl ester of monensin A and its complexes with Li+, Na+ and K+ cations
    Journal of Molecular Structure, Volume 874, Issues 1-3, 28 February 2008, Pages 89-100

  • Adam Huczynski, Daniel Łowicki, Bogumil Brzezinski, Franz Bartl
    Spectroscopic, mass spectrometry, and semiempirical investigations of a new 2-(2-methoxyethoxy)ethyl ester of Monensin A and its complexes with monovalent cations
    Journal of Molecular Structure, Volume 879, Issues 1-3, 15 May 2008, Pages 14-24

  • Adam Huczynski, Dominik Michalak, Piotr Przybylski, Bogumil Brzezinski, Franz Bartl
    Monensin A benzyl ester and its complexes with monovalent metal cations studied by spectroscopic, mass spectrometry and semiempirical methods
    Journal of Molecular Structure, Volume 797, Issues 1-3, 18 September 2006, Pages 99-110

  • Adam Huczynski, Dominik Michalak, Piotr Przybylski, Bogumil Brzezinski, Franz Bartl
    Spectroscopic, mass spectrometry and semiempirical investigation of a new Monensin A allyl ester and its complexes with Li+, Na+ and K+cations
    Journal of Molecular Structure, Volume 828, Issues 1-3, 28 February 2007, Pages 130-141

  • Adam Huczynski, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski
    Molecular structure of rubidium six-coordinated dihydrate complex with monensin A
    Journal of Molecular Structure, In Press, Corrected Proof, Available online 15 December 2007

  • Adam Huczynski, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski
    Molecular structure of the 1:1 inclusion complex of monensin A lithium salt with acetonitrile
    Journal of Molecular Structure, Volume 871, Issues 1-3, 15 December 2007, Pages 92-97

  • Adam Huczynski, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski
    Molecular structure of the 1:1 inclusion complex of monensin A sodium salt with acetonitrile
    Journal of Molecular Structure, Volume 832, Issues 1-3, 30 April 2007, Pages 84-89

  • Adam Huczynski, Piotr Przybylski, Bogumil Brzezinski
    NMR, FTIR, ESI-MS and semiempirical study of a new 2-(2-hydroxyethoxy)ethyl ester of monensin A and its complexes with alkali metal cations
    Tetrahedron, Volume 63, Issue 36, 3 September 2007, Pages 8831-8839

  • Adam Huczynski, Piotr Przybylski, Bogumił Brzezinski
    Complexes of monensin A methyl ester with Mg2+, Ca2+, Sr2+, Ba2+ cations studied by electrospray ionization mass spectrometry and PM5 semiempirical method
    Journal of Molecular Structure, Volume 788, Issues 1-3, 8 May 2006, Pages 176-183

  • Adam Huczynski, Piotr Przybylski, Grzegorz Schroeder, Bogumił Brzezinski
    Investigation of complex structures of a new 2-hydroxyethyl ester of Monensin A with Mg2+, Ca2+, Sr2+, Ba2+ cations using electrospray ionization mass spectrometry and semiempirical PM5 methods
    Journal of Molecular Structure, Volume 829, Issues 1-3, 17 March 2007, Pages 111-119

  • Adam Huczynski, Rafał Wawrzyn, Bogumil Brzezinski, Franz Bartl
    Structure of complexes of lasalocid m-nitrobenzyl ester with monovalent metal cations
    Journal of Molecular Structure, In Press, Corrected Proof, Available online 1 February 2008

  • Adam Huczynski, Tomasz Pospieszny, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski
    Structural and spectroscopic studies of the 1:1 complex of lasalocid acid with 1,5,7-triazabicyclo[4.4.0]dec-5-ene
    Journal of Molecular Structure, Volume 875, Issues 1-3, 17 March 2008, Pages 501-508

  • Adam Huczynski, Tomasz Pospieszny, Rafał Wawrzyn, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski, Franz Bartl
    Structural and spectroscopic studies of new o-, m- and p-nitrobenzyl esters of lasalocid acid
    Journal of Molecular Structure, Volume 877, Issues 1-3, 17 April 2008, Pages 105-114

  • Ahmet Altun, Kurtulus Golcuk, Mustafa Kumru, Abraham F. Jalbout
    Electron-conformational study for the structure–hallucinogenic activity relationships of phenylalkylamines
    Bioorganic & Medicinal Chemistry, Volume 11, Issue 18, 1 September 2003, Pages 3861-3868

  • Amit Basak, Subhendu Sekhar Bag, Ajoy Basak
    Design and synthesis of a novel enediynyl pentapeptide with predominantly ?-turn structural motif and its potential as a fluorescence-based chemosensor
    Bioorganic & Medicinal Chemistry, Volume 13, Issue 12, 2 June 2005, Pages 4096-4102

  • Andreas Klamt
    References
    COSMO-RS, 2005, Pages 221-229

  • Andreas Zogg, Ulrich Fischer, Konrad Hungerbühler
    Identification of kinetic and thermodynamic reaction parameters from online calorimetric and IR-ATR data using a new combined evaluation algorithm
    Chemical Engineering Science, Volume 59, Issue 24, December 2004, Pages 5795-5806

  • Anna Drabczynska, Christa E. Müller, Anke Schiedel, Britta Schumacher, Janina Karolak-Wojciechowska, Andrzej Fruzinski, Weronika Zobnina, Olga Yuzlenko, Katarzyna Kieć-Kononowicz
    Phenylethyl-substituted pyrimido[2,1-f]purinediones and related compounds: Structure–activity relationships as adenosine A1 and A2A receptor ligands
    Bioorganic & Medicinal Chemistry, Volume 15, Issue 22, 15 November 2007, Pages 6956-6974

  • Anna Drabczynska, Christa E. Müller, Svenja K. Lacher, Britta Schumacher, Janina Karolak-Wojciechowska, Antony Nasal, Piotr Kawczak, Olga Yuzlenko, Elżbieta Pękala, Katarzyna Kieć-Kononowicz
    Synthesis and biological activity of tricyclic aryloimidazo-, pyrimido-, and diazepinopurinediones
    Bioorganic & Medicinal Chemistry, Volume 14, Issue 21, 1 November 2006, Pages 7258-7281

  • Arjan W. Kleij, Robert A. Gossage, Robertus J. M. Klein Gebbink, Nils Brinkmann, Ed J. Reijerse, Udo Kragl, Martin Lutz, Anthony L. Spek, and Gerard van Koten
    A “Dendritic Effect” in Homogeneous Catalysis with Carbosilane-Supported Arylnickel(II) Catalysts: Observation of Active-Site Proximity Effects in Atom-Transfer Radical Addition
    Journal of the American Chemical Society; 2000,122, 12112-12124.

  • Armin Sautter, Dietmar G. Schmid, Gunther Jung, and Frank Wurthner
    A Triangle-Square Equilibrium of Metallosupramolecular Assemblies Based on Pd(II) and Pt(II) Corners and Diazadibenzoperylene Bridging Ligands
    Journal of the American Chemical Society; 2001,123, 5424-5430.

  • Astrid Netz, Kurt Polborn, and Thomas J. J. Muller
    Diastereoselective Propargylations with Planar Chiral Chromiumcarbonyl Arene Complex Substituted Propargyl Cations(Scientific Paper)
    Journal of the American Chemical Society; 2001,123, 3441-3453.

  • Balkus, K.J., et al.
    Synthesis of aluminium phosphate molecular sieves using cobalticinium hydroxide.
    Microporous Materials, No. 3, 1995 pp. 489-495.

  • Balkus, K.J., Krystyna Nowinska
    Intrazeolite organometallics Pentamethylcyclopentadienyl rhodium complexes.
    Microporous Materials, No. 3, 1995, pp. 665-686.

  • Barry M. Trost and Hisanaka Ito
    A Direct Catalytic Enantioselective Aldol Reaction via a Novel Catalyst Design
    Journal of the American Chemical Society; 2000,122, 12003-12004.

  • Berthold Kersting, Michel Meyer, Ryan E. Powers, and Kenneth N. Raymond
    Dinuclear Catecholate Helicates: Their Inversion Mechanism
    J. Am. Chem. Soc. 1996, 118(30), 7221-7222.

  • Błażej Gierczyk, Grzegorz Schroeder, Piotr Przybylski, Bogumil Brzezinski, Franz Bartl, Georg Zundel
    ESI MS, NMR and PM5 semiempirical studies of oligomycin A and its complexes with Li+ and Na+ cations
    Journal of Molecular Structure, Volume 738, Issues 1-3, 14 March 2005, Pages 261-270

  • Bodor, Nicholas, Huang, Ming-Ju
    On the Reactivity of CFnH3-nCHX(n=0,1,2, and 3, and X=H or Halogen atom)
    Tetrahedron, Vol. 48, pp. 5823-5830, 1992.

  • Bodor, Nicholas, Huang, Ming-Ju
    Optimitzed structures and relative stabilities of the isomers of (CO2)2n+1 (1 Chemical Physics Letters, Volume 192, number 4, 8 May 1992.

  • Bodor, Nicholas, Huang, Ming-Ju
    Predicting Partition Coefficents for Isomeric Diastereoisomers of Some Tripeptide Analogs
    Journal of Computational Chemistry, Vol. 12, No. 10, 1182-1186, (1991).

  • Bodor, Nicholas, Huang, Ming-Ju,
    Intermolecular Interactions of Methyl Acetate, Beta-Propiolactone, Ethyl Acetate, and gamma-butyrolactone: an AM1 Semiempirical study.
    International Journal of Quantum Chemistry, Vol. 44, 81-89 (1992).

  • Bodor, Nicholas, Huang, Ming-Ju, Kaminski, J.J.
    A theoretical study of prednisolone, 6(-fluoroprednisolone, 9(-fluoroprednisolone, 6(,9(-difluoroprednisolone and related compounds
    Journal of Molecular Structure (Theochem), 279 (1993) 59-69.

  • Bodor, Nicholas, Kumar, Gondi, Huang, Ming-Ju, Hammer, Richard
    Soft Drugs. 17: Quantitative Structure-Activity Relationships of Soft Anticholinergics Based on Methatropine and Methscopolamine
    Journal of Pharmaceutical Sciences, Vol. 83, No.1, January 1994.

  • Bogumił Brycki, Anna Szwajca
    Spectroscopic characterization and single molecule structures of N,N-bis-(3-phthalimidopropyl)-N-(2-hydroxyethyl)-N-propylammonium salts and their hydrates
    Journal of Molecular Structure, Volume 879, Issues 1-3, 15 May 2008, Pages 7-13

  • Bogusława Łe?ska, Grzegorz Schroeder, Teresa Łuczak, Piotr Przybylski, Radosław Pankiewicz, Maria Bełtowska-Brzezinska, Bogumił Brzezinski
    Structure and electrochemical reactivity of 3-[tris(2-methoxyethoxy)silyl]-propanethiol adsorbed on silver surface
    Thin Solid Films, Volume 515, Issue 1, 25 September 2006, Pages 152-157

  • Bogusława Łęska, Piotr Przybylski, Joanna Wyrwał, Bogumil Brzezinski, Grzegorz Schroeder, Volodimir Rybachenko
    The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and Li+ cations
    Journal of Molecular Structure, Volume 741, Issues 1-3, 2 May 2005, Pages 11-17

  • Bogusława Łęska, Piotr Przybylski, Joanna Wyrwał, Bogumił Brzezinski, Grzegorz Schroeder, Volodimir Rybachenko, Angelamaria Maia
    The reaction heats and PM5 semiempirical studies of complexes formed between silicon podand and monovalent cations
    Journal of Molecular Structure, Volume 733, Issues 1-3, 3 January 2005, Pages 231-237

  • Bogusława Łęska, Radosław Pankiewicz, Grzegorz Schroeder, Angelamaria Maia
    Application of a new class B-podands in solid–liquid phase transfer catalysis
    Journal of Molecular Catalysis A: Chemical, Volume 269, Issues 1-2, 18 May 2007, Pages 141-148

  • Bogusława Łęska, Radosław Pankiewicz, Grzegorz Schroeder, Błażej Gierczyk, Hieronim Maciejewski, Bogdan Marciniec
    New type of repeated Si–C-podand catalysts for solid–liquid phase transfer reactions
    Catalysis Communications, Volume 9, Issue 5, 20 March 2008, Pages 821-825

  • Bogusława Łęska, Radosław Pankiewicz, Oksana Nevecheriya, Volodimir I. Rybachenko, Grzegorz Schroeder, Bogumił Brzezinski
    B-podand complexes with sodium ions: the reaction heats and PM5 semiempirical calculation
    Journal of Molecular Structure, Volume 840, Issues 1-3, 17 September 2007, Pages 1-5

  • Boguslawa ska, Iwona Kauna, Baej Gierczyk, Grzegorz Schroeder, Piotr Przybylski, Bogumil Brzezinski
    Kinetic studies of complexation reaction of polyoxaalkyl phosphates with Fe(III) in ethanol
    Journal of Molecular Structure, Volume 643, Issues 1-3, 19 December 2002, Pages 9-19

  • Bottomley, Frank et al.
    Organometallic Oxides: Preparation and Properties of the Clusters (n-C5Me5)4Mo5O11 and {[(n-C5Me5)Mo]3(n-OH)n(n-O)6-n}C12.
    J. Am. Chem. Soc., 116, 1994, pp. 7989-7995.

  • Brewster, Marcus E., et al.
    Application of Semiempirical Molecular Orbital Techniques to the Study of Peroxidase-Mediated Oxidation of Phenols, Anilines, Sulfides and Thiobenzamides.
    Tetrahedron, Vol. 47, No. 36, 1991, pp. 7525-7536.

  • Brewster, Marcus E., et al.
    Reactivity of Biologically Important Reduced Pyridines. VIII. A Semiempirical (AM1) Study of the Oxidation of 3-Substituted-1-Methyl-1,4-Dihydropyridines.
    Journal of Computational Chemistry, Vol. 12, No. 10, 1991, pp. 1278-1282.

  • Brewster, Marcus E., Huang, Ming-Ju, Bodor, Nicholas
    Reactivity of biologically important reduced pyridines. Part 9. Effect of substitution on rotational energetics in 1-phenyl-1,4-dihydropyridine, the 1-phenylpyridinium cation and related systems
    Journal of Molecular Structure (Theochem), 257 (1992) 49-56.

  • Brewster, Marcus E., Huang, Ming-Ju, Pop, Emil, Bodor, Nicholas
    Hydroxyl Stretching in Substituted Phenols: an AM1 Study
    International Journal of Quantum Chemistry, Quantum Biology Symposium 20, 7-15 (1993).

  • Brewster, Marcus E., Pop, Emil, Huang, Ming-Ju, Bodor, Nicholas
    Rotational barriers in phenol and sterically congested phenol derivatives, an AM1 study.
    Journal of Molecular Structure (Theochem), 303 (1994) 25-38.

  • C. Luo, D. M. Guldi, H. Imahori, K. Tamaki, and Y. Sakata,
    Sequential Energy and Electron Transfer in an Artificial Reaction Center: Formation of a Long-Lived Charge-Separated State
    Journal of the American Chemical Society; 2000,122, 6535-6551.

  • Carlos Bustos, Christian Sánchez, Rolando Martínez, Ricardo Ugarte, Eduardo Schott, Desmond Mac-Leod Carey, María Teresa Garland, Luis Espinoza
    Tautomeric, spectroscopic, DFT calculations and X-ray studies on O2N-4-C6H4–NHN=C(COCH3)2
    Dyes and Pigments, Volume 74, Issue 3, 2007, Pages 615-621

  • Carlota Conesa and Henry S. Rzepa
    PM3 and ab initio studies of the C8 H8 potential energy surface. Thermal isomerism of syn- and anti-tricyclo[4.2.0.0]octa-3,7-dienes
    J. Chem. Soc., Perkin Trans. 2, 1998, 857.

  • Carlota Conesa and Henry S. Rzepa, Department of Chemistry,
    Re-engineering potential energy surfaces: trapezoidally distorted pi2s + thermal cycloaddition/elimination reactions
    J. Chem. Soc., Perkin Trans. 2, 1998, 269-2698.

  • Catalina E. Laplaza, Marc J. A. Johnson, Jonas C. Peters, Aaron L. Odom, Esther Kim, Christopher C. Cummins, Graham N. George, and Ingrid J. Pickering
    Dinitrogen Cleavage by Three-Coordinate Molybdenum(III) Complexes: Mechanistic and Structural Data 1
    J. Am. Chem. Soc. 1996, 118(36), 8623-8638.

  • Chamot, Ernest, et al.
    Modeling Acid Sites in MFI Zeolites with Realistic Geometric Constraints.
    Symposium on Molecular Modeling of Petroleum Processes and Catalysis, April 5-10, 1992.

  • Chamot, Ernest, et al.,
    Probing Polyolefin Stabilities by Semiempirical Methods.
    Symposium on Industrial Applications of Quantum Chemistry, May 31-June 2, 1995.

  • Chien-Tien Chen and Y-Chen Chou,
    C2-Symmetric Dibenzosuberane-Based Helicenes as Potential Chirochromic Optical Switches
    Journal of the American Chemical Society; 2000,122, 7662-7672.

  • Chisako Yamagami, Miki Akamatsu, Noriko Motohashi, Shogo Hamada, Takao Tanahashi
    Quantitative structure–activity relationship studies for antioxidant hydroxybenzalacetones by quantum chemical- and 3-D-QSAR(CoMFA) analyses
    Bioorganic & Medicinal Chemistry Letters, Volume 15, Issue 11, 2 June 2005, Pages 2845-2850

  • Christian Brückner, Michael A. Hyland, Ethan D. Sternberg, Jill K. MacAlpine, Steven J. Rettig, Brian O. Patrick, David Dolphin
    Preparation of [meso-tetraphenylchlorophinato]nickel(II) by stepwise deformylation of [meso-tetraphenyl-2,3-diformyl-secochlorinato]nickel(II): conformational consequences of breaking the structural integrity of nickel porphyrins
    Inorganica Chimica Acta, Volume 358, Issue 10, 15 June 2005, Pages 2943-2953

  • Christodoulos Makedonas, Christiana A. Mitsopoulou
    A vibrational and DFT study of M(diimine)(dithiolate) complexes and their complexation route
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 64, Issue 4, July 2006, Pages 918-930

  • Cikui Liang, David Gallagher
    Prediction of Physical and Chemical Properties by QSPR
    American Laboratory, March 1997.

  • Colin J. Campbell, James F. Rusling, and Christian Brßckner,
    Nickel(II) meso-Tetraphenyl-Homoporphyrins, -secochlorins, and -chlorophin: Control of Redox Chemistry by Macrocycle Rigidity
    Journal of the American Chemical Society; 2000,122, 6679-6685.

  • Colin, Thomas, Gerad Bernardinelli, Charles W. Jefford, Djordje Maric and Jacques Weber
    Computational Studies of the Structures and Properties of Antimalarial Compounds Based on the 1,2,4-Trioxane Ring Structure. In Artemisinin-like Molecules.
    International Journal of Quantum Chemistry, Vol. 21, 1991, pp. 117-131.

  • Colin, Thomas, Marshall Cory and Michael Zerner
    Theoretical Studies of Some New Anti-Malarial Drugs.
    International Journal of Quantum Chemistry, 18, 1991, pp. 231-245.

  • Dana L. Caulder, Christian Bruckner, Ryan E. Powers, Stefan Konig, Tatjana N. Parac, Julie A. Leary, and Kenneth N. Raymond
    Design, Formation and Properties of Tetrahedral M4L4 and M4L6 Supramolecular Clusters
    Journal of the American Chemical Society; 2001,123, 8923-8938.

  • Dani Youssef, Christie E. Nichols, T. Stanley Cameron, Jan Balzarini, Erik De Clercq, Amitabh Jha
    Design, synthesis, and cytostatic activity of novel cyclic curcumin analogues
    Bioorganic & Medicinal Chemistry Letters, Volume 17, Issue 20, 15 October 2007, Pages 5624-5629

  • Davey, Simon N., Leigh, David A., Moody, Andrew E., Tetler, Lee W., Wade, Frances A.,
    C60-Azacrown Ethers: the First Monoaminated Fullerene Derivatives
    J. Chem. Soc. Chem. Commun., 1994.

  • David J. Edwards, Robin G. Pritchard, Timothy W. Wallace
    Complementary kinetic and thermodynamic resolution of a chiral biaryl axis
    Tetrahedron Letters, Volume 44, Issue 25, 16 June 2003, Pages 4665-4668

  • De Paula, Julio C., Walters, Valerie A., et al.,
    Electronic Structure of Triplet States of Zinc(II) Tetraphenylporphyns.
    The Journal of Physical Chemistry, Vol. 99, No. 4, 1995 , pp. 1166-1171.

  • DeShong, P. et al.
    A Novel Method for the Synthesis of Spiroketal Systems. Synthesis of the Pheromones of the Common Wasp and the Olive Fruit Fly.
    J. Org. Chem., Vol. 56, 1991, 3207.

  • DeShong, P. et al.
    Improved Protocols for the Selective Deprotection of Trialkylsilyl Ethers Using Fluorosilicic Acid.
    J. Org. Chem., 58, 1993, 5130.

  • DeShong, P. et al.
    Probing the Chemistry of Organomanganese Complexes. A Kinetic Study of the Demetalation of Manganacycles and Correlations of the Kinetic Parameters with Manganese-55 Chemical Shifts.
    J. Org. Chem., Vol. 54, 1989, 5432.

  • DeShong, P. et al.
    Probing the Chemistry of Organomanganese Complexes. A Kinetic Study of the Role Coordinate Bonds in a Demetalation Reaction.
    Tetrahedron, 1993, 5673.

  • DeShong, P. et al.
    Selective Deprotection of Trialkylsilyl Esthers Using Fluorosilicic Acid.
    J. Org. Chem., 56, 1991, 2492.

  • DeShong, P. et al.
    Synthesis of Tetramic Acid Antibiotics.
    Studies in Natural Product Chemistry, Atta-Ur-Amman, Ed., Vol. 14, Elsevier: Amsterdam, 1993, pp. 97-142.

  • DeShong, P. et al.
    Total Synthesis of (+/-)-Tirandamycin B.
    J. Am. Chem. Soc., 113, 1991,8791.

  • DeShong, P. et al.
    Utilization of Tetrabutylammonium Triphenylsilyldifluoride (TBAT) as a Fluoride Source for Nucleophilic Fluorination.
    J. Am. Chem. Soc., 117, 1995, 5166.

  • DeShong, P. et al., in “The Anomeric Effect and Associated Stereoelectronic Effects”, Thatcher, G.
    Glycosylmanganese Complexes and Anomeric Anomalies. The Next Generation?
    American Chemical Society: Washington D.C., ACS Series 539, 1993, pp. 227-238.

  • Douglass F. Taber, Kamfia K. You, and Arnold L. Rheingold
    Predicting the Diastereoselectivity of Rh-Mediated Intramolecular C-H Insertion
    J. Am. Chem. Soc. 1996, 118(3), 547-556.

  • Douglass F. Taber, Wei Zhang, Carlton L. Campbell, Arnold L. Rheingold, and Christopher D. Incarvit
    Cyclozirconation of a Computationally-Designed Diene: Synthesis of (-)-Androst-4-ene-3,16-dione
    Journal of the American Chemical Society; 2000,122, 4813-4814.

  • Doyle, Michael P., Westrum, Larry J., Wolthuis, Wendelmoed N.E., See, Marjorie M., Boone, William P., Bagheri, Vahid, Pearson, Matthew M.
    Electronic and Steric control in Carbon-Hydrogen Insertion Reactions of Diazoacetoacetates Catalyzed by Dirhodium(II) Carboxylates and Carboxamides
    J. Am. Chem. Soc., 115, 1993, pp. 958-964.

  • Doyle, Michael P., Westrum, Larry J., Wolthuis, Wendelmoed N.E., See, Marjorie M., Boone, William P., Bagheri, Vahid, Pearson, Matthew M.,
    Dirhodium (II) Tetrakis (carboxamidates) with Chiral Ligands. Structure and Selectivity in Catallytic Metal-Carbene Transformations.
    Journal of the American Chemical Society, Vol. 115, No. 22, 1993, pp. 9968-9978.

  • F. Meinardi, M. Cerminara, S. Blumstengel, A. Sassella, A. Borghesi, and R. Tubino
    Broad and narrow bands in the photoluminescence spectrum of solid-state oligothiophenes: Two marks of an intrinsic emission
    Phys. Rev. B 67, 184205 (2003)

  • F. Meinardi, S. Blumstengel, M. Cerminara, G. Macchi, and R. Tubino
    Intrinsic excitonic luminescence in crystalline terthiophene
    Phys. Rev. B 72, 035207 (2005)

  • Frank Neese, Jeffrey M. Zaleski, Kelly Loeb Zaleski, and Edward I. Solomon
    Electronic Structure of Activated Bleomycin: Oxygen Intermediates in Heme versus Non-Heme Iron
    Journal of the American Chemical Society; 2000,122(47), 11703-11724.

  • Frederick D. Lewis, Rajdeep S. Kalgutkar, and Jye-Shane Yang
    Highly Regioselective Anaerobic Photocyclization of 3-Styrylpyridines
    Journal of the American Chemical Society; 2001,123, 3878-3884.

  • Fryzuk, Michael D., Haddad, T.S., Mylvaganam, Murugesapillai, McConville, David H., Rettig, Steven J.
    End-on Versus Side-On Bonding of Dinitrogen to Dinuclear Early Transition-Metal Complexes
    J. Am. Chem. Soc., 115, 1993, pp. 2782-2792.

  • Fryzuk, Michael D., Xiaoliang Gao, and Steven J. Rettig,
    Reaction of the Coordinatively Unsaturated Methylene Complex Ir=CH2[N(SiMe2CH2PPh2 )2] with Olefins: Stereoselective Formation of Allyl Hydride Derivatives
    J. Am. Chem. Soc. 1995, 117, 3106-3117.

  • Fujita, Makoto, Satoshi Nagao, Katsuyuki Ogura,
    Guest-Induced Organization of a Three- Dimensional Palladium(II) Cagelike Complex. A Prototype for Induced-Fit Molecular Recognition
    J. Am. Chem. Soc. 1995, 117, 1649-1650.

  • Gabrielov, A.G., K.J. Balkus, Jr., S.L. Bell, F. Bedioui, J. Devynck
    Faujasite zeolites modified with iron perfluorophthalocyanines: synthesis and characterization.
    Microporous Materials, No. 2, 1994, pp.119-226.

  • Gallagher DA.
    Thermal Degradation of Nylon
    Sci. Comp. Auto. Jun 1996.

  • George Domazetis, Monthida Raoarun, Bruce D. James, John Liesegang
    Molecular modelling and experimental studies on steam gasification of low-rank coals catalysed by iron species
    Applied Catalysis A: General, Volume 340, Issue 1, 15 May 2008, Pages 105-118

  • Gheorghe Surpateanu, Paul Ionut Dron, David Landy, Sophie Fourmentin, Marc Bria
    Synthesis, inclusion capabilities, and electrical properties of some asymmetrical cyclophanes
    Tetrahedron, Volume 64, Issue 4, 21 January 2008, Pages 721-732

  • Gina M. Stewart and Marye Anne Fox
    Chromophore-Labeled Dendrons as Light Harvesting Antennae
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    Journal of Molecular Structure, Volume 748, Issues 1-3, 30 June 2005, Pages 49-55

  • Melina Monasterios, Milagros Avenda?o, María Isabel Amaro, Wilson Infante, Jaime Charris
    Relation between molecular electrostatic potential, several electronic properties and antibacterial activity of some synthetic furane derivatives
    Journal of Molecular Structure, Volume 798, Issues 1-3, 23 October 2006, Pages 102-108

  • Minati Baral, Suban K. Sahoo, B.K. Kanungo
    Tripodal amine catechol ligands: A fascinating class of chelators for aluminium(III)
    Journal of Inorganic Biochemistry, In Press, Corrected Proof, Available online 4 March 2008

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    Stereoselective construction of 3a-methylhydrindanes starting from 2,7-enynol derivatives based on Ti(II)-mediated cyclization and Ru-catalyzed ring-closing metathesis
    Tetrahedron Letters, Volume 47, Issue 29, 17 July 2006, Pages 5181-5185

  • Nataliya Lyapchenko, Grzegorz Schroeder, Piotr Przybylski, Agnieszka Burzynska, Paweł Kafarski, Bogumił Brzezinski
    Mass spectrometric and PM5 study of some piperidine-N-methyldiphosphonic acids and their complexes with alkali cations
    Journal of Molecular Structure, Volume 782, Issues 2-3, 23 January 2006, Pages 183-190

  • Nikolay Gerasimchuk, Leon Goeden, Paul Durham, Charles Barnes, John F. Cannon, Svitlana Silchenko, Ismael Hidalgo
    Synthesis and characterization of disubstituted arylcyanoximes and their several metal complexes
    Inorganica Chimica Acta, Volume 361, Issue 7, 20 May 2008, Pages 1983-2001

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    Tetrahedron, Volume 59, Issue 3, 13 January 2003, Pages 341-352

  • Pevear, Karen A., Mark M. Banaszak Holl, Gene B. Carpenter, Anne L. Rieger, Phillip H. Rieger, Dwight A. Sweigart
    Ligand Substitution at 19-Electron Centers and the Idenyl Effect in Organometallic Radicals. Electrocatalytic CO substitution in (Cyclopentadienyl)Fe(CO)3+ and (Indenyl)Fe(CO)3+
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    The structures of monensin A derivatives and its complexes with some monovalent cations studied by the AM1d, PM3 as well as PM5 semiempirical methods
    Journal of Molecular Structure, Volume 826, Issues 2-3, 29 January 2007, Pages 156-164

  • Piotr Przybylski, Adam Huczynski, Małgorzata Wichłacz, Małgorzata Ratajczak-Sitarz, Andrzej Katrusiak, Bogumil Brzezinski
    Spectroscopic, semiempirical and X-ray structural study of the 2:1 complex of a cyclic diamide of o-phthalic acid with water molecule
    Journal of Molecular Structure, Volume 840, Issues 1-3, 17 September 2007, Pages 22-28

  • Piotr Przybylski, Beata Kołodziej, Grzegorz Leniec, Sławomir M. Kaczmarek, Eugeniusz Grech, Janusz Typek, Bogumil Brzezinski
    ESI MS, spectroscopic and semiempirical characterization of a macrobicyclic complex with Er (III) cation
    Journal of Molecular Structure, Volume 878, Issues 1-3, 30 April 2008, Pages 95-103

  • Piotr Przybylski, Bogumil Brzezinski, Franz Bartl
    Oligomycin A complex structures with some divalent metal cations studied by ESI MS and PM5 semiempirical methods
    Journal of Molecular Structure, Volume 830, Issues 1-3, 30 March 2007, Pages 58-71

  • Piotr Przybylski, Bogumił Brzezinski, Franz Bartl
    Spectroscopic and PM5 studies of a new Schiff base of Gossypol with 4?-aminobenzo-15-crown-5 in solution
    Journal of Molecular Structure, Volume 794, Issues 1-3, 7 August 2006, Pages 237-243

  • Piotr Przybylski, Grzegorz Bejcar, Wojciech Schilf, Bogumil Brzezinski
    Structural and semiempirical investigation of hydrazone of gossypol and its protonated species
    Journal of Molecular Structure, Volume 878, Issues 1-3, 30 April 2008, Pages 71-77

  • Piotr Przybylski, Grzegorz Schroeder, Bogumil Brzezinski
    The Schiff base of gossypol with 2-(aminomethyl)-18-crown-6 complexes and H+, Li+, Na+, K+, Rb+, Cs+ cations studied by ESI MS, 1H NMR, FT-IR and PM5 semiempirical methods
    Journal of Molecular Structure, Volume 699, Issues 1-3, 2 August 2004, Pages 65-77

  • Piotr Przybylski, Krystian Pyta, Barbara Wicher, Maria Gdaniec, Bogumił Brzezinski
    Structure of a new Schiff base of gossypol with 1-(3-aminopropyl)-2-pyrrolidinone studied by the X-ray, FT-IR, NMR, ESI-MS and PM5 methods
    Journal of Molecular Structure, In Press, Corrected Proof, Available online 29 February 2008

  • Piotr Przybylski, Magdalena Wodarz, Bogumil Brzezinski, Franz Bartl
    Spectroscopic studies and PM5 semiempirical calculations of tautomeric forms of gossypol schiff base with (R)-tetrahydrofurfurylamine
    Journal of Molecular Structure, Volume 691, Issues 1-3, 29 March 2004, Pages 227-234

  • Piotr Przybylski, Magdalena Wodarz, Grzegorz Schroeder, Radosaw Pankiewicz, Bogumil Brzezinski, Franz Bartl
    ESI MS and PM5 semiempirical studies of gossypol schiff base with (R)-tetrahydrofurfurylamine complexes and monovalent cations
    Journal of Molecular Structure, Volume 693, Issues 1-3, May 2004, Pages 95-102

  • Piotr Przybylski, Maria Małuszyn?ska, Bogumił Brzezinski
    Spectroscopic and semiempirical studies of new Schiff base of gossypol with allylamine in solution
    Journal of Molecular Structure, Volume 750, Issues 1-3, 15 August 2005, Pages 152-157

  • Piotr Przybylski, Weronika Lewandowska, Bogumił Brzezinski, Franz Bartl
    1H, 13C and 15N NMR, FT-IR as well as PM5 studies of a new Schiff base of gossypol with 3,6-dioxadecylamine in solution
    Journal of Molecular Structure, Volume 797, Issues 1-3, 18 September 2006, Pages 92-98

  • Piotr Przybylski, Wojciech Schilf, Bogumił Brzezinski
    13C, 15N NMR and CP-MAS as well as FT-IR and PM5 studies of Schiff base of gossypol with l-phenylalanine methyl ester in solution and solid
    Journal of Molecular Structure, Volume 734, Issues 1-3, 31 January 2005, Pages 123-128

  • Piotr Przybylski, Wojciech Schilf, Bohdan Kamienski, Bogumil Brzezinski, Franz Bartl
    13C, 15N CP-MAS, FT–IR and PM5 studies of some Schiff bases of gossypol in solid
    Journal of Molecular Structure, Volume 748, Issues 1-3, 30 June 2005, Pages 111-117

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    Isomerism of Cephalosporin esters; Theoretical and Practical Aspects
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    International Journal of Quantum Chemistry: Quantum Biology Symposium 19, 1992, pp. 77-85.

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    International Journal of Quantum Chemistry: Quantum Chemistry Symposium 25, 1991, pp. 325-333.

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  • Radosaw Pankiewicz, Aleksandra Pawowska, Grzegorz Schroeder, Piotr Przybylski, BogumiBrzezinski, Franz Bartl
    Multinuclear NMR, FT-IR, ESI MS studies and PM5 semiempirical calculations of new ethylene glycol ester of lasalocid acid and their complexes with K+ cation
    Journal of Molecular Structure, Volume 694, Issues 1-3, June 2004, Pages 55-61

  • Radosaw Pankiewicz, Aleksandra Pawowska, Grzegorz Schroeder, Piotr Przybylski, BogumiBrzezinski, Franz Bartl
    NMR, FT-IR, ESI MS studies and PM5 semiempirical calculations of lasalocid ethylene glycol ester complexes with Li+ and Na+ cations
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  • Radosław Pankiewicz, Dorota Remlein-Starosta, Grzegorz Schroeder, Bogumił Brzezinski
    Biological activity and ESI MS study of oxaalkyl and hydroksyoxaalkyl lasalocid esters
    Journal of Molecular Structure, Volume 783, Issues 1-3, 6 February 2006, Pages 136-144

  • Radosław Pankiewicz, Grzegorz Schroeder, Bogumil Brzezinski
    Spectroscopic and PM5 semiempirical study of a new lasalocid ester with 2-allyloxyethanol and its complexes with monovalent cations
    Journal of Molecular Structure, Volume 789, Issues 1-3, 22 May 2006, Pages 1-7

  • Radosław Pankiewicz, Grzegorz Schroeder, Bogumił Brzezinski
    NMR, FT-IR, ESI MS and PM5 semiempirical study of new lasalocid 5-hydroxy-3-oxapentyl ester and its complexes with monovalent cations
    Journal of Molecular Structure, Volume 733, Issues 1-3, 3 January 2005, Pages 155-165

  • Radosław Pankiewicz, Grzegorz Schroeder, Bogumił Brzezinski
    Spectroscopic, spectrometric and PM5 semiempirical investigation of new lasalocid 8-hydroxy-3,6-dioxaoctyl ester and its complexes with monovalent cations
    Journal of Molecular Structure, Volume 733, Issues 1-3, 3 January 2005, Pages 217-229

  • Radoslaw Pankiewicz, Grzegorz Schroeder, Bogumil Brzezinski, Franz Bartl
    Spectroscopic and PM5 semiempirical study of new lasalocid 5-hydroxypentyl ester and its complexes with monovalent cations
    Journal of Molecular Structure, Volume 699, Issues 1-3, 2 August 2004, Pages 53-64

  • Radosław Pankiewicz, Jaromir Kira, Grzegorz Schroeder, Tadeusz Ossowski, Bogumił Brzezinski
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    Journal of Molecular Structure, Volume 782, Issues 2-3, 23 January 2006, Pages 73-80

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    Tetrahedron, Volume 60, Issue 12, 15 March 2004, Pages 2765-2770

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    Inorganic Chemistry Communications, Volume 10, Issue 5, May 2007, Pages 590-592

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    Inorganica Chimica Acta, Volume 361, Issue 4, 3 March 2008, Pages 820-830

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    Bioorganic & Medicinal Chemistry Letters, Volume 16, Issue 17, 1 September 2006, Pages 4519-4522

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    A Molecular Orbital and S-Crystallographic Study of the Structure and n-Facial Regioselectivity of 9-Chloro-1,4,5,8-tetrahydro-4a, 8a-methanonaphthalene.
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    An AM1 and PM3 Molecular Orbital Study of the Pericyclic Reactivity of Aryl Carbondiimides.
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    Theoretical Study of the Solvatochromic Propertiesof Rhodamines using the AM1 and PM3/COSMO Solvation Model.
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  • Steven P. Keizer, John Mack, Barbara A. Bench, Sergiu M. Gorun, and Martin J. Stillman
    Spectroscopy and Electronic Structure of Electron Deficient Zinc Phthalocyanines
    Journal of American Chemical Society; 2003, 125, 7067-7085

  • Suban K. Sahoo, Minati Baral, B.K. Kanungo
    Potentiometric, spectrophotometric, theoretical studies and binding properties of a novel tripodal polycatechol-amine ligand with lanthanide(III) ions
    Polyhedron, Volume 25, Issue 3, 13 February 2006, Pages 722-736

  • Suban K. Sahoo, Rati Kanta Bera, Minati Baral, B.K. Kanungo
    Excited state intramolecular proton transfer (ESIPT) in a dioxotetraamine derived schiff base and its complexation with Fe(III) and Cr(III)
    Journal of Photochemistry and Photobiology A: Chemistry, Volume 188, Issues 2-3, 20 May 2007, Pages 298-310

  • Suban K. Sahoo, S.E. Muthu, Minati Baral, B.K. Kanungo
    Potentiometric and spectrophotometric study of a new dipodal ligand N,N?-bis{2-[(2-hydroxybenzylidine)amino]ethyl}malonamide with Co(II), Ni(II), Cu(II) and Zn(II)
    Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Volume 63, Issue 3, March 2006, Pages 574-586

  • Subhendu Mukherjee, Shuchi Nagar, Sanchita Mullick, Arup Mukherjee, Achintya Saha
    Pharmacophore mapping of arylbenzothiophene derivatives for MCF cell inhibition using classical and 3D space modeling approaches
    Journal of Molecular Graphics and Modelling, Volume 26, Issue 5, January 2008, Pages 884-892

  • Sullivan CJ & CF Cooper.,
    Polyester weatherability: Coupling frontier molecular orbital calculations of oxidative stability with accelerated testing.
    J. Coating Tech. Aug 1995.

  • Taber, Douglas F., J.P. Louey, Y. Wang, W.A. Nugent, D.A. Dixon, R.L. Harlow
    Stereoselectivity in Intramolecular Diene Cyclozirconation: A Combined Experimental and Theoretical Approach.
    J. of the American Chemical Society, Vol. 116, No. 21, 1994, pp. 9457-9463.

  • Takai-T Senda-H Lee-HH Kuwae-A Hanai-K Kanazawa University
    We have identified for the first time symmetry allowed pathways for rearrangement of both the syn (1) and anti (2) isomers of the cyclobutadiene dimer in the closed shell potential energy surface for the isomerisation to cyclooctatetraene. At the B3LYP/6-31G(d) level of theory, the calculated activation energy for the reaction of 1 is 3.2 kcal mol 21 lower than that for 2, in good agreement with the experimental difference of 3.6 kcal mol. The possible influence of the sigma strain on the synchronicity of the pericyclic reactions of the systems is discussed. Keto-Enol-Tautomerism of Monosubstituted Phenylpyruvic Acids as Studied by NMR and PM3 Calculation
    Spectroscopy Letters, 1998, 31, 2, p 379-95.

  • Teodozja Lipinska
    Experimental and theoretical FMO interaction studies of the Diels–Alder reaction of 5-acetyl-3-methythio-1,2,4-triazine with cyclic enamines
    Tetrahedron, Volume 61, Issue 34, 22 August 2005, Pages 8148-8158

  • Teresa Łuczak, Radosław Pankiewicz, Bogusława Łęska, Grzegorz Schroeder, Maria Bełtowska-Brzezinska, Bogumil Brzezinski
    Structure and electrochemical behaviour of 4,7-diazaheptyl-trimethoxy-silane and vinyl-trialkoxy-silane adsorbed at silver surface
    Journal of Molecular Structure, Volume 800, Issues 1-3, 4 December 2006, Pages 140-145

  • Thomson, Colin and Marshall Cory and Michael Zerner
    Theoretical Studies of Some New Anti-Malarial Drugs.
    International Journal of Quantum Chemistry: Quantum Biology Symposium 18, 1991, pp. 231-245.

  • Tohru Fukuyama and Gang Liu
    Stereocontrolled Total Synthesis of (+/-)-Gelsemine
    J. Am. Chem. Soc. 1996, 118(31), 7426-7427.

  • Toshihiko Hanai
    Simulation of chromatography of phenolic compounds with a computational chemical method
    Journal of Chromatography A, Volume 1027, Issues 1-2, 20 February 2004, Pages 279-287

  • Toshio Hihara, Yasuyo Okada, Zenzo Morita
    A semiempirical molecular orbital study of the photo-reactivity of monoazo reactive dyes derived from ?- and J-acids
    Dyes and Pigments, Volume 73, Issue 2, 2007, Pages 141-161

  • Toshio Hihara, Yasuyo Okada, Zenzo Morita
    An analysis of the photo-reactivity of monoazo reactive dyes derived from H-acid and related naphthalene sulfonic acids using the PM5 method
    Dyes and Pigments, Volume 75, Issue 3, 2007, Pages 585-605

  • Toshio Hihara, Yasuyo Okada, Zenzo Morita
    Photo-oxidation of pyrazolinylazo dyes and analysis of reactivity as azo and hydrazone tautomers using semiempirical molecular orbital PM5 method
    Dyes and Pigments, Volume 69, Issue 3, 2006, Pages 151-176

  • Toshio Hihara, Yasuyo Okada, Zenzo Morita
    Reactivity of phenylazonaphthol sulfonates, their estimation by semiempirical molecular orbital PM5 method, and the relation between their reactivity and azo-hydrazone tautomerism
    Dyes and Pigments, Volume 59, Issue 3, December 2003, Pages 201-222

  • Toshio Hihara, Yasuyo Okada, Zenzo Morita
    The photo-oxidation of reactive azobenzene dyes and an analysis of their reactivity for the azo and hydrazone tautomers using the semiempirical molecular orbital PM5 method
    Dyes and Pigments, Volume 75, Issue 1, 2007, Pages 225-245

  • Trost, Barry M., Thomas J. J. Muller, and Jose Martinez,
    Ruthenium-Catalyzed Synthesis of Butenolides and Pentenolides via Contra-Electronic a-Alkylation of Hydroxyalkynoates
    J. Am. Chem. Soc. 1995, 117, 1888-1899.

  • Turchi, Ignatius J. and Cynthia A. Maryanoff
    Mechanism and Stereochemical Implications of the Reaction of Oxazolium-5-Oxide with 1,2-Dicyanocyclobutene. An AM1 Study.
    Heterocycles, Vol. 35 No. 2, 1993, pp. 649-657.

  • Turchi, Ignatius J. et al.
    Interesting Contrasts in Electrocyclic Reactions for Thieno[3,2-b]- and-[3,2-b]pyrans with Chromenes.
    J. Org. Chem., 58, 1993, pp. 4629-4633.

  • van der Linden, Arjan, Colin J. Schaverien, Nico Meijboom, Christian Ganter, and A. Guy Orpen,
    Polymerization of a-Olefins and Butadiene and Catalytic Cyclotrimerization of 1-Alkynes by a New Class of Group IV Catalysts
    J. Am. Chem. Soc. 1995, 117, 3008-3021.

  • Wegner, Peter J., Bong-Ser Park, Martin Sobczak, Joseph Frey, and Zvi Rappoport,
    Photocyclization of 2,4,6,2’,4’,6’ Hexaalkylbenzils
    J. Am. Chem. Soc. 1995, 117, 7619-7629.

  • Weijin Li and Marye Anne Fox
    Syntheses, Characterization, and Photophysics Studies of Photoactive Chromophore 2-Naphthyl-Labeled [n ]-Ladderanes
    J. Am. Chem. Soc. 1996, 118(47), 11752-11758.

  • West, Jon K. and Larry L. Hench
    Silicia fracture - Part I. A ring contraction model.
    Journal of Materials Science, Vol., 29, 1994, pp. 3601-3606.

  • West, Jon K. and Larry L. Hench
    Silicia fracture - Part II. A ring opening model via hydrolysis.
    Journal of Materials Science, Vol. 29, 1994, pp. 5808-5816.

  • West, Jon K. and Larry L. Hench,
    Inorganic pathways for biosenthesis: A molecular orbital modeling approach.
    J. Vac. Sci. Technology A Vol. 12, No. 5, 1994, pp. 2962-2965.

  • West, Jon K. and Larry L. Hench,
    Molecular Orbital Models of Silica Rings and Their Vibrational Specta.
    J. of American Ceramic Soc., Vol. 78, No. 4, 1995, pp. 1093-1096.

  • West, Jon K. and Larry L. Hench,
    Molecular Orbital Models of Silica.
    Annu. Rev. Mater. Sci., Vol. 25, 1995, pp. 37-68.

  • West-JK Brennan-AB Clark-AE Zamora-M Hench-LL
    Cyclic Anhydride Ring-Opening Reactions - Theory and Application
    Journal of Biomedical Materials Research 1998, Vol 41, Iss 1, pp 8-17.

  • Wong, Chi-Huey, et al.
    Sugar Nucleotide recycling
    J. Am. Chemical Society, 114, 9283 (1992).

  • Xiang Li, Jie Wang, Richard Mason, Xiu R. Bu, Joycelyn Harrison
    Combined phase transfer catalysis and ultrasound to enhance tandem alkylation of azo dyes
    Tetrahedron, Volume 58, Issue 19, 6 May 2002, Pages 3747-3753

  • Xiankai Sun, Darren W. Johnson, Dana L. Caulder, Kenneth N. Raymond, and Edward H. Wong
    Rational Design and Assembly of M2M’3L6 Supramolecular Clusters with C3h Symmetry by Exploiting Incommensurate Symmetry Numbers
    Journal of the American Chemical Society, 2001,123, 2752-2763.

  • Yasuhiro Shigemitsu, Kaori Komiya, Naoko Mizuyama, Yoshinori Tominaga
    Reaction of functionalized maleimides with versatile nucleophiles. Synthesis, electronic spectra and molecular orbital study
    Dyes and Pigments, Volume 72, Issue 3, 2007, Pages 271-284

  • Yasuyo Okada, Toshio Hihara, Zenzo Morita
    Analysis of the catalytic fading of pyridone-azo disperse dyes on polyester using the semi-empirical, molecular orbital PM5 method
    Dyes and Pigments, Volume 78, Issue 3, September 2008, Pages 179-198

  • Yasuyo Okada, Toshio Hihara, Zenzo Morita
    Analysis of the photofading of phenylazo-aniline and phenylazo-pyridone disperse dyes on poly(ethylene terephthalate) substrate using the semiempirical molecular orbital PM5 method
    Dyes and Pigments, Volume 79, Issue 2, November 2008, Pages 111-125

  • Young Soo Keum, Qing X. Li
    Fungal laccase-catalyzed degradation of hydroxy polychlorinated biphenyls
    Chemosphere, Volume 56, Issue 1, July 2004, Pages 23-30

  • Yukitami Mizuno, Takuzo Aida, and Kentaro Yamaguchi,
    Chirality-Memory Molecule: Crystallographic and Spectroscopic Studies on Dynamic Molecular Recognition Events by Fully Substituted Chiral Porphyrins
    Journal of the American Chemical Society; 2000,122, 5278-5285.

  • Zhiguang Xiao, Robert W. Gable, Anthony G. Wedd, and Charles G. Young,
    Complexes Containing cis- [MoV O2 ] + and cis-[MoV O(OH)]2+ Centers
    J. Am. Chem. Soc. 1996, 118(12), 2912-2921.


Materials Explorer publications:

  • A. Honda, K. Matsunaga and H. Matsubara
    Molecular Dynamics Simulation of an Intergranular Glass Phase in Alumina Based Ceramics
    J. Japan Inst. Metals, Vol. 64, No. 11(2000),pp. 1113-1119

  • A. Takeuchi, K. Yubuta, Y. Yokoyama, A. Makino, A. Inoue
    Noncrystalline atomic arrangements computationally created from crystalline compound by treating groups of atoms as hypothetical clusters
    Intermetallics, Volume 16, Issue 2, February 2008, Pages 283-292

  • A. Takeuchi, K. Yubuta, Y. Yokoyama, A.R. Yavari, A. Inoue
    Noncrystalline structure created through ensemble of clusters in metastable cubic Zr2Ni structure by their random rotations and subsequent annealing
    Intermetallics, Volume 16, Issue 6, June 2008, Pages 774-778

  • A. Takeuchi, Y. Yokoyama, H. Kato, K. Yubuta, A. Inoue
    Formation of Zr66.7Al11.1Ni22.2 noncrystalline alloys demonstrated by molecular dynamics simulations based on distorted plastic crystal model
    Intermetallics, Volume 16, Issue 6, June 2008, Pages 819-826

  • Alistair P. Rendell, Andrey Bliznyuk, Thomas Huber, Ross H. Nobes, Elena V. Akhmatskaya, Herbert A. Fruchtl, Paul W. -C. Kung, Victor Milman, Han Lung
    Computational chemistry on Fujitsu vector-parallel processors: Development and performance of applications software
    Parallel Computing, Volume 26, Issues 7-8, July 2000, Pages 887-911

  • C.A.J. Fisher, M. Yoshiya, Y. Iwamoto, J. Ishii, M. Asanuma, K. Yabuta
    Oxide ion diffusion in perovskite-structured Ba1-xSrxCo1-yFeyO2.5: A molecular dynamics study
    Solid State Ionics, Volume 177, Issues 39-40, 15 January 2007, Pages 3425-3431

  • Ephraim Bulemela, Peter Tremaine, Shun-ichi Ikawa
    Volumetric behavior of water-methanol mixtures in the vicinity of the critical region
    Fluid Phase Equilibria, Volume 245, Issue 2, 10 August 2006, Pages 125-133

  • Fujii, K.; Soejima, Y.; Kyoshoin, Y.; Fukuda, S.; Kanzaki, R.; Umebayashi, Y.; Yamaguchi, T.; Ishiguro, S.-i.; Takamuku, T.
    Liquid Structure of Room-Temperature Ionic Liquid, 1-Ethyl-3-methylimidazolium Bis-(trifluoromethanesulfonyl) Imide
    J. Phys. Chem. B.; (Article); 2008; 112(14); 4329-4336. DOI: 10.1021/jp7105499

  • Fumio Tanaka, Somchai Keawwangchai, Rong Rujkorakarn, Noboru Mataga
    Study of photo-induced electron transfer in pyrene-(CH2)n-N,N’-dimethylaniline system by molecular dynamic simulation
    Chemical Physics, Volume 348, Issues 1-3, 2 June 2008, Pages 242-248

  • H. Suzuki, H. Matsubara, J. Kishino and T. Kondoh
    Simulation of Surface and Grain Boundary Properties of Alimina by Molecular Dynamics Method
    Journal of the Ceramic Society of Japan, 106[12], 1215-1222(1998)

  • H. Toriumi, M. Yoshida, M. Mikami, M. Takeuchi and A. Mochizuki
    Computer Simuration of an Antiferroelectric Liquid Crystalline Molecule: The Origin of Bent Structure Formation and the Molecular Packing Property of MHPOBC in Crystalline Phase
    J. Phys. Chem., Vol. 100, No. 37(1996)

  • H. Toriumi, M. Yoshida, N. Kamiya and M. Takeuchi
    Molecular Dynamics Simulation of an Antiferroelectric Liquid Crystalline Molecule MHPOBC: Conformational Transition in Smectic Phases
    Mol. Cryst. Liq. Cryst.,Vol.402, pp. 31/[267]-42/[278],(2003)

  • Hesske, H.; Gloe, K.
    Hydration Behavior of Alkyl Amines and Their Corresponding Protonated Forms. 1. Ammonia and Methylamine
    J. Phys. Chem. A.; (Article); 2007; 111(39); 9848-9853. DOI: 10.1021/jp073154a

  • Hideaki Matsubara
    Computer simulations for the design of microstructural developments in ceramics
    Computational Materials Science, Volume 14, Issues 1-4, February 1999, Pages 125-128

  • K. Matsunaga and H. Matsubara
    Molecular Orbital Calculations on Atomic Structures of Si-Based Covalent Amorphous Ceramics
    Mat. Res. Soc. Symp. Proc. Vol. 538(1999)Materials Research Society

  • K. Matsunaga, C. Fisher and H. Matsubara
    Tersoff Potential Parameters for Simulating Cubic Boron Carbonitrides
    Jpn. J. Appl. Phys. Vol. 39(2000), pp. L48-51

  • K. Matsunaga, S. Ii, C. Iwamoto, T. Yamamoto and Y. Ikuhara
    In situ observation of crack propagation in magnesium oxide ceramics
    Nanotechnology 15(2004)S376-S381

  • K. Matsunaga, Y. Iwamoto, C. A. J. Fisher and H. Matsubara
    Molecular Dynamics Study of Atomic Structures in Amorphous Si-C-N Ceramics
    Journal of the Ceramic Society of Japan, 107[11], 1025-1031(1999)

  • M. Nakamura, H. Fujioka, K. Ono, M. Takeuchi, T. Mitsui, M. Oshima
    Molecular dynamics simulation of III-V compound semiconductor growth with MBE
    Journal of Crystal Growth, Volume 209, Issues 2-3, February 2000, Pages 232-236

  • M. Takahashi, T. Maeda, K. Sakiyama, H. Takano, M. Itoh
    Molecular dynamic simulation on the cool-liquefaction of nano-cluster by quantum size effect
    Journal of Aerosol Science, Volume 31, Supplement 1, September 2000, Pages 915-916

  • M. Takeuchi, Y. Masuda and S. Muto
    Classical Molecular Dynamics Method As A Tool For Studying Phase Transformations; Proceedings of the International Conference on Solid-Solid Phase Transformations ‘99(JIMIC-3) Edited by M, Koiwa, K. Otsuka and T. Miyazaki
    The Japan Institute of Metals, 1999.

  • M.Yoshiya, et al.
    Pertubed Molocular Dynamics for Calculating Thermal Conductivity of Zirconia
    Molecular Simulation Vol30(13-15) P953-961

  • Okobira, T.; Miyoshi, K.; Uezu, K.; Sakurai, K.; Shinkai, S.
    Molecular Dynamics Studies of Side Chain Effect on the ?-1,3-D-Glucan Triple Helix in Aqueous Solution
    Biomacromolecules; (Article); 2008; 9(3); 783-788. DOI: 10.1021/bm700511d

  • R. Kojima, M. Susa
    Melting of thin ?Fe-C films having (100), (110) and (111) surfaces in terms of molecular dynamics simulation
    Science and Technology of Advanced Materials, Volume 5, Issues 5-6, September-November 2004, Pages 677-682

  • R. Kojima, M. Susa
    Second moment approximation of tight-binding potential for ?Fe applicable up to 1700 K
    Science and Technology of Advanced Materials, Volume 5, Issue 4, July 2004, Pages 497-502

  • R. Tarumi, A. Ogura, M. Shimojo, K. Takashima and Y. Higo
    Molecular Dynamics Simulation of Crystallization in an Amorphous Metal during Shear Deformation
    Jpn. J. Appl. Phys. Vol. 39(2000)pp. L611-L613

  • Ross H. Nobes, Alistair P. Rendell, Jarek Nieplocha
    Computational chemistry on Fujitsu vector-parallel processors: Hardware and programming environment
    Parallel Computing, Volume 26, Issues 7-8, July 2000, Pages 869-886

  • S. Ii, C. Iwamoto, K. Matsunaga, T. Yamamoto, Y. Ikuhara
    TEM in situ observation of fracture behavior in ceramic materials
    Applied Surface Science, Volume 241, Issues 1-2, 28 February 2005, Pages 68-74

  • S. Muto, M. Takeuchi, Y. Masuda and T. Tanabe
    Local Atom Displacements Around Crystal Lattice Defects Inducing Phase Transformations Studied by Molecular Dynamics Simulation; The Third Pacific Rim International Conference on Advanced Materials and Processing(PRICM3) Edited by M. A. Imam, R. DeNale, S. Hanada, Z. Zhong and D. N. Lee
    The Minerals, Metals & Materials Society, 1998

  • S. Muto, Y. Masuda and M. Takeuchi
    Molecular Dynamics Study on Local Atomic Displacements Associated with Point Defects and Displacive Phase Transformations
    Materials Transactions, JIM, Vol. 40, No. 6(1999), pp. 514 to 521

  • Satoshi Kojima, Chao Hu
    Plastic deformation by synchronized rotation of nanolayers under high stress in metals
    Materials Science and Engineering: A, In Press, Corrected Proof, Available online 6 January 2008

  • Shohei Arai, Manabu Togashi, Mariko Shiozawa, Yoshio Inoue, Minoru Sakurai
    Molecular dynamics simulation of the M intermediate of photoactive yellow protein in the crystalline state
    Chemical Physics Letters, Volume 414, Issues 1-3, 3 October 2005, Pages 230-233

  • Shuhei Fukuda, Munetaka Takeuchi, Kenta Fujii, Ryo Kanzaki, Toshiyuki Takamuku, Kazumi Chiba, Hideo Yamamoto, Yasuhiro Umebayashi, Shin-ichi Ishiguro
    Liquid structure of N-butyl-N-methylpyrrolidinium bis-(trifluoromethanesulfonyl) amide ionic liquid studied by large angle X-ray scattering and molecular dynamics simulations
    Journal of Molecular Liquids, In Press, Corrected Proof, Available online 21 March 2008

  • T. Kurobori, K.Inabe, S. Aoshima, T. Itoh, M. Takeuchi and E. Radzhabov
    Time-resolved study and molecular dynamics simulation of defect centers in BaFX(X=Cl, Br) crystals
    Journal of Luminescence 87-89(2000)558-560

  • T. Kurobori, M. Liu, H. Tsunekawa, Y. Hirose and M. Takeuchi
    Molecular Dynamics Simulation of the Pressure-Induced Phase Transition In BaFCl
    Radiation Effects & Defects in Solids, 2002, Vol. 157, pp. 799-803

  • T. Kurobori, M. Yoshiura, Min Liu and Y. Hirose
    Vacancy Migration Properties of BaFCl Obtained by Molecular Dynamics Simulation
    Jpn. J. Appl. Phys. Vol. 38(1999)pp. L948-L950

  • T. Kurobori, S. Kozake, T. Kawamoto and Y. Hirose
    Thermal Properties of BaFCl Crystals Simulated by Molecular Dynamics
    Jpn. J. Appl. Phys. Vol. 39(2000)pp. L537-L540, Part2, No. 6A(1 June 2000)

  • T. Kurobori, Y. Hirose and M. Takeuchi
    Thermal Expansion Coeffcient of BaFX (X=Cl, Br) by Molecular Dynamics Simulation
    Rapid Research Notes: 00-017(2000)

  • Takeo Oku, Masaki Kuno, Hidehiko Kitahara, Ichihito Narita
    Formation, atomic structures and properties of boron nitride and carbon nanocage fullerene materials
    International Journal of Inorganic Materials, Volume 3, Issue 7, November 2001, Pages 597-612

  • W. C. Lie, A. S. Acosta, H. Fujioka, T. Mano, T. Mitsui, M. Takeuchi, M. Oshima
    Theoretical study of embedded InAs quantum dots in GaAs
    Journal of Crystal Growth, Volume 229, Issues 1-4, July 2001, Pages 615-618

  • W.H. Qi, B.Y. Huang, M.P. Wang, F.X. Liu, Z.M. Yin
    Freezing of silver cluster and nanowire: A comparison study by molecular dynamics simulation
    Computational Materials Science, Volume 42, Issue 3, May 2008, Pages 517-524

  • Xue-jun ZHENG, Bo YANG, Zhe ZHU, Bo WU, Yu-liang MAO
    Kinetic Monte Carlo simulation of growth of BaTiO3 thin film via pulsed laser deposition
    Transactions of Nonferrous Metals Society of China, Volume 17, Issue 6, December 2007, Pages 1441-1446

  • Y. Kameda, M. Imano, M. Takeuchi, S. Suzuki, T. Usuki, O. Uemura
    Neutron diffraction and MD studies of LiBr hydrated melts
    Journal of Non-Crystalline Solids, Volumes 293-295, November 2001, Pages 600-606

  • Yoshikazu Suzuki, Tatsuki Ohji
    Anisotropic thermal expansion of calcium dialuminate (CaAl4O7) simulated by molecular dynamics
    Ceramics International, Volume 30, Issue 1, 2004, Pages 57-61

  • Yunmin Yang, Hiroaki Abe, Naoto Sekimura
    Behavior of Frank-loops under stress environment
    Physics Letters A, Volume 315, Issues 3-4, 25 August 2003, Pages 293-300

  • Yutaka Maniwa, Kazuyuki Matsuda, Haruka Kyakuno, Syunsuke Ogasawara, Toshihide Hibi, Hiroaki Kadowaki, Shinzo Suzuki, Yohji Achiba and Hiromichi Kataura
    Water-filled single-wall carbon nanotubes as molecular nanovalves
    Nature Materials, Volume 6, Issue 2, February 2007, Pages 135-141

  • Zhi-qiang Li, K. Ohno, Y. Kawazoe, M. Mikami, Y. Masuda
    Energetics and structures of small benzene clusters
    Z.-q. Li et al./Computational Materials Science 4(1995)241-248


MO-G (MOPAC) publications:

  • Adachi, K.; Hirano, T.
    Controllable Silane Water-Cross-Linking Kinetics and Curability of Ethylene-Propylene Copolymer by Amine Compounds
    Ind. Eng. Chem. Res.; (Article); 2008; 47(6); 1812-1819. DOI: 10.1021/ie0708069

  • Atsushi Satsuma, Hironaka Kanbe, Kannan Srinivasan, Shin-ich Komai, Yuichi Kamiya, Tadashi Hattori
    Control of nano-sized interlayer space of lamellar vanadyl benzylphosphate
    Microporous and Mesoporous Materials,�Volume 110, Issues 2-3,�15 April 2008, Pages 528-533

  • Ayako Furuhama, Keiko Takano, Shojiro Ogawa, Shinji Tsuchiya
    A theoretical study of tautomerism in hexa-aza macrocycles containing 2,2?-bipyridine and 1,10-phenanthroline and their ability to form lithium complexes
    Journal of Molecular Structure: THEOCHEM,�Volume 620, Issue 1,�3 January 2003, Pages 49-63

  • Azuma Matsuura, Hiroyuki Sato, Wataru Sotoyama, Atsuya Takahashi, Minoru Sakurai
    AM1, PM3, and PM5 calculations of the absorption maxima of basic organic dyes
    Journal of Molecular Structure: THEOCHEM,�In Press, Corrected Proof,�Available online 8 April 2008

  • Buschel, M.; Ajayaghosh, A.; Eldo, J.; Daub, J.
    Controlling the Growth of Conjugated Polymers on Electrode Surface: Synthesis, Electropolymerization, and Spectroelectrochemistry of Conjugated Bispyrroles
    Macromolecules; (Article); 2002; 35(22); 8405-8412. DOI: 10.1021/ma020708t

  • Delano P. Chong, Christophe Bureau
    Accurate density-functional calculation of core-electron binding energies with a scaled polarized triple-zeta basis set: VII. Effects of poorer geometry and poorer basis sets
    Journal of Electron Spectroscopy and Related Phenomena,�Volume 106, Issue 1,�January 2000, Pages 1-6

  • Fabio Pichierri
    Theoretical study on adamantylidene-adamantane adducts by using semiempirical molecular orbital methods
    Journal of Molecular Structure: THEOCHEM,�Volume 668, Issues 2-3,�January 2004, Pages 179-187

  • Fabio Pichierri, Vijay Kumar, Yoshiyuki Kawazoe
    Exohedral functionalization of the icosahedral cluster Si20H20: a density functional theory study
    Chemical Physics Letters,�Volume 383, Issues 5-6,�15 January 2004, Pages 544-548

  • Fabio Pichierri, Yo Matsuo
    Mechanism of tyrosine phosphorylation catalyzed by the insulin receptor tyrosine kinase: a semiempirical PM3 study
    Journal of Molecular Structure: THEOCHEM,�Volume 622, Issue 3,�19 March 2003, Pages 257-267

  • Fujisawa, T.; Ichise-Shibuya, K.; Katagi, T.; Ruzo, L. O.; Takimoto, Y.
    Metabolism of Fungicide Diethofencarb in Grape (Vitis vinifera L.): Definitive Identification of Thiolactic Acid Conjugated Metabolites
    J. Agric. Food Chem.; (Article); 2003; 51(18); 5329-5336. DOI: 10.1021/jf034367+

  • Fukahori, T.; Kondo, M.; Nishikawa, S.
    Dynamic Study of Interaction between Beta-Cyclodextrin and Aspirin by the Ultrasonic Relaxation Method
    J. Phys. Chem. B.; (Article); 2006; 110(9); 4487-4491. DOI: 10.1021/jp058205n

  • Fukushima, M.; Fujisawa, T.; Katagi, T.
    Tomato Metabolism and Porphyrin-Catalyzed Oxidation of Pyriproxyfen
    J. Agric. Food Chem.; (Article); 2005; 53(13); 5353-5358. DOI: 10.1021/jf0503816

  • Fukushima, M.; Katagi, T.
    Photodegradation of Fenitrothion and Parathion in Tomato Epicuticular Waxes
    J. Agric. Food Chem.; (Article); 2006; 54(2); 474-479. DOI: 10.1021/jf052113d

  • Furuta, H.; Ishizuka, T.; Osuka, A.; Ogawa, T.
    N-Fused Porphyrin: A New Tetrapyrrolic Porphyrinoid with a Fused Tri-pentacyclic Ring
    J. Am. Chem. Soc.; (Article); 2000; 122(24); 5748-5757. DOI: 10.1021/ja000148i

  • Gruzdkov, Y. A.; Gupta, Y. M.
    Shock Wave Initiation of Pentaerythritol Tetranitrate Single Crystals: Mechanism of Anisotropic Sensitivity
    J. Phys. Chem. A.; (Article); 2000; 104(47); 11169-11176. DOI: 10.1021/jp0019613

  • Hideki Miyauchi, Chie Ikematsu, Toshiaki Shimazaki, Shinichiro Kato, Teruo Shinmyozu, Tetsuro Shimo, Kenichi Somekawa
    One-pot synthesis of macrocyclic compounds possessing two cyclobutane rings by sequential inter- and intramolecular [2+2] photocycloaddition reactions
    Tetrahedron,�Volume 64, Issue 18,�28 April 2008, Pages 4108-4116

  • Hiroshi Ikeda, Azusa Sakai, Hayato Namai, Akinori Kawabe, Kazuhiko Mizuno
    Synthesis, X-ray crystallographic analysis, and theoretical structure analysis of tetrathienylethenes designed for photo- and electrochromism
    Tetrahedron Letters,�Volume 48, Issue 47,�19 November 2007, Pages 8338-8342

  • Hiroshi Ikeda, Hayato Namai, Nobuyuki Kato, Teruyo Ikeda
    Matrix isolation and DFT calculations of the TMM radical cation generated via the single electron oxidation of a methylenecyclopropane
    Tetrahedron Letters,�Volume 47, Issue 11,�13 March 2006, Pages 1857-1860

  • Hiroshi Ikeda, Hayato Namai, Nobuyuki Kato, Teruyo Ikeda
    The first observation in an organic medium and DFT calculation of the TMM radical anion generated via a single electron reduction of a methylenecyclopropane
    Tetrahedron Letters,�Volume 47, Issue 10,�6 March 2006, Pages 1501-1504

  • Hiroshi Shimizu, Takashi Hatano, Takayuki Matsuda, Tatsunori Iwamura
    Novel polar cycloaddition of 1,2-thiazinylium salt
    Tetrahedron Letters,�Volume 40, Issue 1,�1 January 1999, Pages 95-96

  • Hiroshi Shimizu, Takashi Hatano, Takayuki Matsuda, Tatsunori Iwamura
    Polar cycloaddition of monocyclic 1,2-thiazinylium salt and transformation of the cycloadducts to 1,2-azathiabenzenes
    Tetrahedron Letters,�Volume 40, Issue 8,�19 February 1999, Pages 1505-1508

  • Hotta, S.; Ichino, Y.; Yoshida, Y.; Yoshida, M.
    Spectroscopic Features of Thin Films of Thiophene/Phenylene Co-oligomers with Vertical Molecular Alignment
    J. Phys. Chem. B.; 2000; 104(44); 10316-10320. DOI: 10.1021/jp002166s

  • Huczynski, A.; Przybylski, P.; Brzezinski, B.; Bartl, F.
    Spectroscopic and Semiempirical Studies of a Proton Channel Formed by the Methyl Ester of Monensin A
    J. Phys. Chem. B.; (Article); 2006; 110(31); 15615-15623. DOI: 10.1021/jp062160o

  • Ichikawa, S.; Kimura, S.; Mori, H.; Yoshida, G.; Tajima, H.
    Antiferromagnetic Interaction Achieved by a 3-D Supramolecular CuII Complex with Pyrazino-Fused TTF as the Ligand, [CuCl2(BP-TTF)]
    Inorg. Chem.; (Communication); 2006; 45(19); 7575-7577. DOI: 10.1021/ic060746j

  • Ichikawa, S.; Kimura, S.; Takahashi, K.; Mori, H.; Yoshida, G.; Manabe, Y.; Matsuda, M.; Tajima, H.; Yamaura, J.-i.
    Intrinsic Carrier Doping in Antiferromagnetically Interacted Supramolecular Copper Complexes with (Pyrazino)tetrathiafulvalene (Pyra-TTF) as the Ligand, [CuIICl2(pyra-TTF)] and (Pyra-TTF)2[CuI3Cl4(pyra-TTF)]
    Inorg. Chem.; (Article); 2008; 47(10); 4140-4145. DOI: 10.1021/ic7019632

  • Igor Novak, Branka Kova
    UV photoelectron spectroscopy of coumarins
    Journal of Electron Spectroscopy and Related Phenomena,�Volume 113, Issue 1,�December 2000, Pages 9-13

  • Igor Novak, Branka Kova, Darko Kontrec, Vitomirunjic
    Electronic structure of persubstituted benzenes: caveats
    Journal of Electron Spectroscopy and Related Phenomena,�Volume 109, Issue 3,�September 2000, Pages 281-286

  • Ikeda, T.; Ikeda, H.; Takahashi, Y.; Yamada, M.; Mizuno, K.; Tero-Kubota, S.; Yamauchi, S.
    The Facile Generation of a Tetramethyleneethane Type Radical Cation and Biradical Utilizing a 3,4-Di(-styryl)furan and a Photoinduced ET and Back ET Sequence
    J. Am. Chem. Soc.; (Article); 2008; 130(8); 2466-2472. DOI: 10.1021/ja074000b

  • Inai, Y.; Ousaka, N.; Okabe, T.
    Mechanism for the Noncovalent Chiral Domino Effect: New Paradigm for the Chiral Role of the N-Terminal Segment in a 310-Helix
    J. Am. Chem. Soc.; (Article); 2003; 125(27); 8151-8162. DOI: 10.1021/ja035040s

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    Direct Observation of Molecular Recognition Mediated by Triple Hydrogen Bonds at a Water/Oil Interface: Time-Resolved Total Internal Reflection Fluorometry Study
    Anal. Chem.; (Accelerated Article); 2003; 75(22); 6035-6042. DOI: 10.1021/ac034839j

  • Isoda, T.; Takagi, H.; Kusakabe, K.; Morooka, S.
    Structural Changes of Alcohol-Solubilized Yallourn Coal in the Hydrogenation over a Ru/Al2O3 Catalyst
    Energy & Fuels; (Article); 1998; 12(3); 503-511. DOI: 10.1021/ef9701394

  • Isoda, T.; Takase, Y.; Kusakabe, K.; Morooka, S.
    Changes in Desulfurization Reactivity of 4,6-Dimethyldibenzothiophene by Skeletal Isomerization Using a Ni-Supported Y-Type Zeolite
    Energy & Fuels; (Article); 2000; 14(3); 585-590. DOI: 10.1021/ef990018z

  • Jae Joon Kim, Kazumasa Funabiki, Hisayoshi Shiozaki, Masaki Matsui
    Properties of unsymmetrical squarylium dyes containing strongly electron-donating 4?-amino-2,2?-bis(diethylamino)-4,5?-bithiazole residue
    Dyes and Pigments,�Volume 57, Issue 2,�May 2003, Pages 165-170

  • Ji-ichiro Hashimoto, Katsunori Segawa, Hirochika Sakuragi
    Effects of a sulfur substituent on the behavior and generation mode of aroyloxyl radicals in the photolysis of diaroyl peroxides
    Chemical Physics Letters,�Volume 314, Issues 3-4,�3 December 1999, Pages 261-266

  • Jin Mizuguchi
    Polymorph of N,N?-di-n-butylperylene-3,4:9,10-bis(dicarboximide) and their electronic structure
    Dyes and Pigments,�Volume 70, Issue 3,�2006, Pages 226-231

  • Kagawa, H.; Mori, K.
    Molecular Orbital Study of the Interaction between MgATP and the Myosin Motor Domain: The Highest Occupied Molecular Orbitals Indicate the Reaction Site of ATP Hydrolysis
    J. Phys. Chem. B.; (Article); 1999; 103(34); 7346-7352. DOI: 10.1021/jp991117g

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    Spontaneous Chiral Induction in a Cubic Phase
    Chem. Mater.; (Article); 2005; 17(15); 3812-3819. DOI: 10.1021/cm0477319

  • Kan Wakamatsu, Kichisuke Nishimoto, Takashi Shibahara
    Theoretical study of photochromic dinuclear molybdenum complexes
    Inorganica Chimica Acta,�Volume 295, Issue 2,�30 November 1999, Pages 180-188

  • Kasajima, T.; Akimoto, S.; Sato, S.-i.; Yamazaki, I.
    Vibrational Energy Relaxation of S1 Perylene in Solution
    J. Phys. Chem. A.; (Article); 2004; 108(16); 3268-3275. DOI: 10.1021/jp036503j

  • Katsushi Hamakubo, Shigeyuki Yagi, Hiroyuki Nakazumi, Tadashi Mizutani, Susumu Kitagawa
    Homohelicity induction of propylene-linked zinc bilinone dimers by complexation with chiral amine and ?-amino esters. Preorganization of structurally coupled homohelical subunits
    Tetrahedron,�Volume 62, Issue 15,�10 April 2006, Pages 3619-3628

  • Kayako Hori, Mizue Iimuro, Akiko Nakao, Hirokazu Toriumi
    Conformational diversity of symmetric dimer mesogens, ?,?-bis(4,4?-cyanobiphenyl)octane, -nonane, ?,?-bis(4-cyanobiphenyl-4?-yloxycarbonyl)propane, and -hexane in crystal structures
    Journal of Molecular Structure,�Volume 699, Issues 1-3,�2 August 2004, Pages 23-29

  • Kentaro Iwasaki, Shojun Hino, Daisuke Yoshimura, Baopeng Cao, Toshiya Okazaki, Hisanori Shinohara
    Ultraviolet photoelectron spectra of Ti2@C80
    Chemical Physics Letters,�Volume 397, Issues 1-3,�11 October 2004, Pages 169-173

  • Kishikawa, K.; Furusawa, S.; Yamaki, T.; Kohmoto, S.; Yamamoto, M.; Yamaguchi, K.
    Novel Superstructure of Nondiscoid Mesogens: Uneven-Parallel Association of Half-Disk Molecules, 3,4,5-Trialkoxybenzoic Anhydrides, to a Columnar Structure and Its One-Directionally Geared Interdigitation
    J. Am. Chem. Soc.; (Article); 2002; 124(8); 1597-1605. DOI: 10.1021/ja012156k

  • Kishikawa, K.; Muramatsu, N.; Kohmoto, S.; Yamaguchi, K.; Yamamoto, M.
    Control of Molecular Aggregations by Doping in Mesophases: Transformation of Smectic C Phases to Smectic CA Phases by Addition of Long Bent-Core Molecules Possessing a Central Strong Dipole
    Chem. Mater.; (Article); 2003; 15(18); 3443-3449. DOI: 10.1021/cm0340476

  • Kitano, H.; Imai, M.; Sudo, K.; Ide, M.
    Hydrogen-Bonded Network Structure of Water in Aqueous Solution of Sulfobetaine Polymers
    J. Phys. Chem. B.; (Article); 2002; 106(43); 11391-11396. DOI: 10.1021/jp020185r

  • Kodaka, R.; Sugano, T.; Katagi, T.; Takimoto, Y.
    Clay-Catalyzed Nitration of a Carbamate Fungicide Diethofencarb
    J. Agric. Food Chem.; (Article); 2003; 51(26); 7730-7737. DOI: 10.1021/jf0346049

  • Kondo, T.; Tsunawaki, F.; Ura, Y.; Sadaoka, K.; Iwasa, T.; Wada, K.; Mitsudo, T.
    Synthesis, Structure, and Reactivity of Novel Ruthenium(II) Phenolate Complexes
    Organometallics; (Article); 2005; 24(5); 905-910. DOI: 10.1021/om0491600

  • Krzysztof Mara�ski, Stanis�aw Kucharski, Ewelina Ortyl, Jean-Michel Nunzi, Sohrab Ahmadi-Kandjani, Sylvie Dabos-Seignon, Siu-Wai Chan, Regis Barille
    Second harmonic generation and photochromic grating in polyurethane films containing diazo isoxazole chromophore
    Optical Materials,�In Press, Corrected Proof,�Available online 28 January 2008

  • Krzysztof Waskiewicz, Rafal Gabanski, Radoslaw Motyka, Mieczyslaw Lapkowski, Jerzy Suwinski, Jerzy Zak
    Photochemical and electrochemical Z�E isomerization of 1,4-dialkoxy-2,5-bis[2-(thien-2-yl)ethenyl]benzene stereoisomers
    Journal of Electroanalytical Chemistry,�Volume 617, Issue 1,�1 June 2008, Pages 27-37

  • Kyushin, S.; Matsuura, T.; Matsumoto, H.
    2,3,4,5-Tetrakis(dimethylsilyl)thiophene: The First 2,3,4,5-Tetrasilylthiophene
    Organometallics; (Article); 2006; 25(11); 2761-2765. DOI: 10.1021/om051018r

  • Lee, K.; Legzdins, P.; Pamplin, C. B.; Patrick, B. O.; Wada, K.
    Intermolecular Activation of Hydrocarbon C-H Bonds Initiated by the Tungsten Hydrocarbyl Hydrido Complexes Cp*W(NO)(R)(H)(PMe3) (R = Alkyl, Aryl)
    Organometallics; (Article); 2005; 24(4); 638-649. DOI: 10.1021/om049137e

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    Spectroscopic Characteristics and Intermolecular Interactions of Thiophene/Phenylene Co-Oligomers in Solutions
    J. Phys. Chem. A.; (Article); 2000; 104(9); 1827-1833. DOI: 10.1021/jp9930604

  • Liming Li, Kunihiko Kodama, Koichi Saito, Katsuo Aizawa
    Phase-resolved fluorescence study of mono–aspartyl chlorin E6
    Journal of Photochemistry and Photobiology B: Biology,�Volume 67, Issue 1,�May 2002, Pages 51-56

  • Masu, H.; Mizutani, I.; Kato, T.; Azumaya, I.; Yamaguchi, K.; Kishikawa, K.; Kohmoto, S.
    Naphthalene- and Anthracene-Based Aromatic Foldamers with Iminodicarbonyl Linkers: Their Stabilities and Application to a Chiral Photochromic System Using Retro [4 + 4] Cycloaddition
    J. Org. Chem.; (Article); 2006; 71(21); 8037-8044. DOI: 10.1021/jo0611317

  • Matsuda, K.; Irie, M.
    A Diarylethene with Two Nitronyl Nitroxides: Photoswitching of Intramolecular Magnetic Interaction
    J. Am. Chem. Soc.; (Article); 2000; 122(30); 7195-7201. DOI: 10.1021/ja000605v

  • Merino, P.; Anoro, S.; Franco, S.; Merchan, F. L.; Tejero, T.; Tunon, V.
    1,3-Dipolar Cycloaddition of Furfuryl Nitrones with Acrylates. A Convenient Approach to Protected 4-Hydroxypyroglutamic Acids
    J. Org. Chem.; (Note); 2000; 65(5); 1590-1596. DOI: 10.1021/jo991560n

  • Mizuguchi, J.
    Crystal Structure and Electronic Characterization of trans- and cis-Perinone Pigments
    J. Phys. Chem. B.; (Article); 2004; 108(26); 8926-8930. DOI: 10.1021/jp031351d

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    Interactions of Magnesium Phthalocyanine as Evaluated by Energy Partition Analysis
    J. Phys. Chem. A.; (Article); 2001; 105(47); 10719-10722. DOI: 10.1021/jp011169h

  • Mizuguchi, J.; Tanifuji, N.; Kobayashi, K.
    Electronic and Structural Characterization of a Piezochromic Indigoid: 11-(3'-Oxodihydrobenzothiophen-2'-ylidene)cyclopenta[1,2-b:4,3-b']dibenzothiophene
    J. Phys. Chem. B.; (Article); 2003; 107(46); 12635-12638. DOI: 10.1021/jp030692o

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    Magnetic Field Effects on Chemical Reactions of Biradical Radical Ion Pairs in Homogeneous Fluid Solvents
    J. Phys. Chem. A.; (Article); 2000; 104(21); 4896-4905. DOI: 10.1021/jp0007437

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    Ring-Collapsed Radical Alternating Copolymerization of Phenyl-Substituted Cyclooligostibine and Acetylenic Compounds
    Macromolecules; (Article); 2006; 39(24); 8257-8262. DOI: 10.1021/ma061220l

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    Theoretical Calculations of the Electronic Absorption Spectra of Oxotitanium(IV) Phthalocyanine in the Solid State
    J. Phys. Chem. B.; (Article); 2003; 107(36); 9749-9755. DOI: 10.1021/jp035533j

  • Nakano, H.; Takahashi, K.; Okuyama, Y.; Senoo, C.; Tsugawa, N.; Suzuki, Y.; Fujita, R.; Sasaki, K.; Kabuto, C.
    Chiral Phosphinooxazolidine Ligands for Palladium- and Platinum-Catalyzed Asymmetric Diels-Alder Reactions
    J. Org. Chem.; (Article); 2004; 69(21); 7092-7100. DOI: 10.1021/jo049375j

  • Namai, H.; Ikeda, H.; Kato, N.; Mizuno, K.
    Substituent Effects on the Energies of the Electronic Transitions of Geminally Diphenyl-Substituted Trimethylenemethane (TMM) Radical Cations. Experimental and Theoretical Evidence for a Twisted Molecular and Localized Electronic Structure
    J. Phys. Chem. A.; (Article); 2007; 111(20); 4436-4442. DOI: 10.1021/jp068308l

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    AC-Modulated Voltfluorometric Study of the Transient Adsorption of Rose Bengal Dianions in the Transfer across the 1,2-DichloroethaneWater Interface
    J. Phys. Chem. B.; (Article); 2001; 105(34); 8162-8169. DOI: 10.1021/jp010875f

  • Nishimura, G.; Ishizumi, K.; Shiraishi, Y.; Hirai, T.
    A Triethylenetetramine Bearing Anthracene and Benzophenone as a Fluorescent Molecular Logic Gate with Either-Or Switchable Dual Logic Functions
    J. Phys. Chem. B.; (Article); 2006; 110(43); 21596-21602. DOI: 10.1021/jp064131j

  • Nobuyuki Tanaka, Tetsuro Tamai, Harunobu Mukaiyama, Akihito Hirabayashi, Hideyuki Muranaka, Takehiro Ishikawa, Satoshi Akahane, Masuo Akahane
    ?3-Adrenoceptor agonists for the treatment of frequent urination and urinary incontinence: 2-[4-(2-{[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino}ethyl)phenoxy]-2-methylpropionic acid
    Bioorganic & Medicinal Chemistry,�Volume 9, Issue 12,�December 2001, Pages 3265-3271

  • Nosaka, Y.; Tanaka, H.
    Effect of Phenyl-Capping and Dimer Formation on the Electronic States of CdS Nanoparticles by Means of Semiempirical Molecular Orbital Calculations
    J. Phys. Chem. B.; (Article); 2002; 106(13); 3389-3393. DOI: 10.1021/jp013445y

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    NMR and Quantum Chemical Study on the OH��� and CH���O Interactions between Trehalose and Unsaturated Fatty Acids: Implication for the Mechanism of Antioxidant Function of Trehalose
    J. Am. Chem. Soc.; (Article); 2003; 125(42); 12739-12748. DOI: 10.1021/ja034777e

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    Characterization of Overoxidized Polypyrrole Colloids Imprinted with L-Lactate and Their Application to Enantioseparation of Amino Acids
    Anal. Chem.; (Article); 2002; 74(16); 4184-4190. DOI: 10.1021/ac025822o

  • Onoda, M.; Uchiyama, S.; Santa, T.; Imai, K.
    A Photoinduced Electron-Transfer Reagent for Peroxyacetic Acid, 4-Ethylthioacetylamino-7- phenylsulfonyl-2,1,3-benzoxadiazole, Based on the Method for Predicting the Fluorescence Quantum Yields
    Anal. Chem.; (Article); 2002; 74(16); 4089-4096. DOI: 10.1021/ac0201225

  • Oyaizu, K.; Iwasaki, T.; Tsukahara, Y.; Tsuchida, E.
    Linear Ladder-Type -Conjugated Polymers Composed of Fused Thiophene Ring Systems
    Macromolecules; (Article); 2004; 37(4); 1257-1270. DOI: 10.1021/ma030520p

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    New -Conjugated Polyelectrolyte Composed of Alkylphenoxathiinium-Type Repeating Units
    Macromolecules; (Note); 2004; 37(6); 2325-2327. DOI: 10.1021/ma049849g

  • Pedro Merino, Eva M. del Alamo, Santiago Franco, Francisco L. Merchan, Ana Simon, Tomas Tejero
    Stereoselective synthesis of -isoxazolidinyl thymidine from N-benzyl-1,2-di-O-isopropylidene–glyceraldehyde nitrone (BIGN)
    Tetrahedron: Asymmetry,�Volume 11, Issue 7,�April 2000, Pages 1543-1554

  • Peter Luthardt, Johannes Mayer, Joachim Fuchs
    Total TEQ emissions (PCDD/F and PCB) from industrial sources
    Chemosphere,�Volume 46, Issues 9-10,�March 2002, Pages 1303-1308

  • Roman Edmund Sioda, Barbara Frankowska
    Electro-oxidation of alkylnaphthalenes
    Journal of Electroanalytical Chemistry,�Volume 568,�1 July 2004, Pages 365-370

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    Reactivity of electrochemically generated radical cations of alkylnaphthalenes interpreted by AM1 calculations
    Tetrahedron Letters,�Volume 46, Issue 16,�18 April 2005, Pages 2747-2749

  • Roman Edmund Sioda, Barbara Frankowska
    Voltammetric oxidation of naphthalene derivatives
    Journal of Electroanalytical Chemistry,�Volume 612, Issue 1,�1 January 2008, Pages 147-150

  • Sakata, K.; Fukushima, T.; Minje, L.; Ogurusu, T.; Taira, H.; Mishina, M.; Shingai, R.
    Modulation by L- and D-Isoforms of Amino Acids of the L-Glutamate Response of N-Methyl-D-aspartate Receptors
    Biochemistry; (Article); 1999; 38(31); 10099-10106. DOI: 10.1021/bi990246k

  • Sasaki, R.; Murata, S.
    Aggregation of Amphiphilic Pyranines in Water: Facile Micelle Formation in the Presence of Methylviologen
    Langmuir; (Research Article); 2008; 24(6); 2387-2394. DOI: 10.1021/la702849c

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    Reaction Pathways of the Electron Transfer from Photoexcited 10-Methylphenothiazines to Electron Acceptors in Polar Solvents. Effects of Magnetic Fields and Heavy Atoms on Efficiency of Free Ion Formation
    J. Phys. Chem. A.; (Article); 2001; 105(13); 2997-3007. DOI: 10.1021/jp003322y

  • Shin-ichi Takekuma, Kazuhiro Tone, Masato Sasaki, Toshie Minematsu, Hideko Takekuma
    Reactions of guaiazulene with thiophene-2,5-dicarbaldehyde and furan-2,5-dicarbaldehyde in methanol in the presence of hexafluorophosphoric acid: a facile preparation and properties of delocalized dicarbenium-ion compounds stabilized by two 3-guaiazulenyl groups and a thiophene (or furan) ring
    Tetrahedron,�Volume 63, Issue 11,�12 March 2007, Pages 2490-2502

  • Shin-ichi Takekuma, Kazutaka Mizutani, Kanako Inoue, Masaru Nakamura, Masato Sasaki, Toshie Minematsu, Kunihisa Sugimoto, Hideko Takekuma
    Reactions of azulene and guaiazulene with all-trans-retinal and trans-cinnamaldehyde: comparative studies on spectroscopic, chemical, and electrochemical properties of monocarbenium-ions stabilized by expanded ?-electron systems with an azulenyl or 3-guaiazulenyl group
    Tetrahedron,�Volume 63, Issue 18,�30 April 2007, Pages 3882-3893

  • Shin-ichi Takekuma, Kazutaka Sonoda, Chika Fukuhara, Toshie Minematsu
    Reaction of guaiazulene with o-formylbenzoic acid in diethyl ether (or methanol) in the presence of hexafluorophosphoric acid: comparative studies on 1H and 13C NMR spectral properties of 3-guaiazulenylmethylium- and 3-guaiazulenium-ion structures
    Tetrahedron,�Volume 63, Issue 11,�12 March 2007, Pages 2472-2481

  • Shinji Tanimori, Ushio Inaba, Yoshihiro Kato, Mitsunori Kirihata
    A simple and easy access to 3-N-alkyl-5-vinyloxazolidinones mediated by palladium�phosphine catalysts
    Tetrahedron,�Volume 59, Issue 21,�19 May 2003, Pages 3745-3751

  • Shiraishi, Y.; Hirai, T.
    Desulfurization of Vacuum Gas Oil Based on Chemical Oxidation Followed by Liquid-Liquid Extraction
    Energy & Fuels; (Article); 2004; 18(1); 37-40. DOI: 10.1021/ef0301396

  • Shiraishi, Y.; Hirai, T.
    Sulfonium Salts Obtained by Desulfurization of Light Oils as an Initiator for Cationic Photopolymerization
    Energy & Fuels; (Article); 2006; 20(5); 1767-1770. DOI: 10.1021/ef060087v

  • Shiraishi, Y.; Hirai, T.; Komasawa, I.
    A Novel Desulfurization Process for Fuel Oils Based on the Formation and Subsequent Precipitation of S-Alkylsulfonium Salts. 4. Desulfurization and Simultaneous Denitrogenation of Vacuum Gas Oil
    Ind. Eng. Chem. Res.; (Article); 2001; 40(15); 3398-3405. DOI: 10.1021/ie001091b

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    Fluorometric Detection of pH and Metal Cations by 1,4,7,10-Tetraazacyclododecane (Cyclen) Bearing Two Anthrylmethyl Groups
    Ind. Eng. Chem. Res.; (Article); 2005; 44(4); 847-851. DOI: 10.1021/ie049459i

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    Titanosilicate Molecular Sieve for Size-Screening Photocatalytic Conversion
    J. Am. Chem. Soc.; (Communication); 2005; 127(23); 8304-8306. DOI: 10.1021/ja042707h

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    A Novel Desulfurization Process for Fuel Oils Based on the Formation and Subsequent Precipitation of S-Alkylsulfonium Salts. 3. Denitrogenation Behavior of Light Oil Feedstocks
    Ind. Eng. Chem. Res.; (Article); 2001; 40(15); 3390-3397. DOI: 10.1021/ie001090j

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    A Novel Desulfurization Process for Fuel Oils Based on the Formation and Subsequent Precipitation of S-Alkylsulfonium Salts. 5. Denitrogenation Reactivity of Basic and Neutral Nitrogen Compounds
    Ind. Eng. Chem. Res.; (Article); 2001; 40(22); 4919-4924. DOI: 10.1021/ie0104565

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    A Novel Thermal Latent Cationic Initiator: S-Alkylsulfonium Salts Obtained by Desulfurization of Light Oil
    Ind. Eng. Chem. Res.; (Article); 2002; 41(23); 5554-5557. DOI: 10.1021/ie0204437

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    Desulfurization and Denitrogenation Process for Light Oils Based on Chemical Oxidation followed by Liquid-Liquid Extraction
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    Photochemical Production of Biphenyls from Oxidized Sulfur Compounds Obtained by Oxidative Desulfurization of Light Oils
    Energy & Fuels; (Article); 2003; 17(1); 95-100. DOI: 10.1021/ef020139q

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    A Novel Desulfurization Process for Fuel Oils Based on the Formation and Subsequent Precipitation of S-Alkylsulfonium Salts. 2. Catalytic-Cracked Gasoline
    Ind. Eng. Chem. Res.; (Article); 2001; 40(4); 1225-1233. DOI: 10.1021/ie000548e

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    A Novel Desulfurization Process for Fuel Oils Based on the Formation and Subsequent Precipitation of S-Alkylsulfonium Salts. 1. Light Oil Feedstocks
    Ind. Eng. Chem. Res.; (Article); 2001; 40(4); 1213-1224. DOI: 10.1021/ie000547m

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    Desulfurization and Denitrogenation of Light Oils by Methyl Viologen-Modified Aluminosilicate Adsorbent
    Energy & Fuels; (Article); 2004; 18(5); 1400-1404. DOI: 10.1021/ef049941d

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    Coordination Assembled Rings of Ferrocene-Bridged Trisporphyrin with Flexible Hinge-like Motion: Selective Dimer Ring Formation, Its Transformation to Larger Rings, and Vice Versa
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  • T.P. Souza, D. Zanette, A.E. Kawanami, L. de Rezende, H.M. Ishiki, A.T. do Amaral, H. Chaimovich, A. Agostinho-Neto, I.M. Cuccovia
    pH at the micellar interface: Synthesis of pH probes derived from salicylic acid, acid�base dissociation in sodium dodecyl sulfate micelles, and Poisson�Boltzmann simulation
    Journal of Colloid and Interface Science,�Volume 297, Issue 1,�1 May 2006, Pages 292-302

  • Takashi Kawasuji, Masahiro Fuji, Tomokazu Yoshinaga, Akihiko Sato, Tamio Fujiwara, Ryuichi Kiyama
    A platform for designing HIV integrase inhibitors. Part 2: A two-metal binding model as a potential mechanism of HIV integrase inhibitors
    Bioorganic & Medicinal Chemistry,�Volume 14, Issue 24,�15 December 2006, Pages 8420-8429

  • Takatoshi Senju, Masataka Sakai, Jin Mizuguchi
    Cohesion of ?-quinacridone and 2,9-dimethylquinacridone in the solid state
    Dyes and Pigments,�Volume 75, Issue 2,�2007, Pages 449-453

  • Tsutomu Hozumi, Akio Saito, Seiji Okawa, Kazuharu Watanabe
    Effects of electrode materials on freezing of supercooled water in electric freeze control
    International Journal of Refrigeration,�Volume 26, Issue 5,�August 2003, Pages 537-542

  • Tsutomu Hozumi, Akio Saito, Seiji Okawa, Yoichiro Eshita
    Effects of shapes of electrodes on freezing of supercooled water in electric freeze control
    International Journal of Refrigeration,�Volume 28, Issue 3,�May 2005, Pages 389-395

  • Tukada, H.
    N-(2-Methoxycarbonyl-2-yloethyl) (3-Nitrenophenyl)aminyl: EPR Observation of a Quintet Hetero-Spin Molecule
    Org. Lett.; (Letter); 2001; 3(21); 3261-3264. DOI: 10.1021/ol016421i

  • Tukada, H.; Mochizuki, K.
    Long-Range Magnetic Interactions in trans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by – Hyperconjugation
    Org. Lett.; (Letter); 2001; 3(21); 3305-3308. DOI: 10.1021/ol0165241

  • Ura, Y.; Tsunawaki, F.; Wada, K.; Shiotsuki, M.; Kondo, T.; Yamaguchi, S.; Masuda, H.; Ohnishi, A.; Mitsudo, T.
    Preparation and Characterization of Chiral Zerovalent Organoruthenium Aqua Complexes
    Organometallics; (Article); 2005; 24(23); 5724-5731. DOI: 10.1021/om050664n

  • Vysotsky, Y. B.; Muratov, D. V.; Boldyreva, F. L.; Fainerman, V. B.; Vollhardt, D.; Miller, R.
    Quantum Chemical Analysis of the Thermodynamics of 2D Cluster Formation of n-Carboxylic Acids at the Air/Water Interface
    J. Phys. Chem. B.; (Article); 2006; 110(10); 4717-4730. DOI: 10.1021/jp055804l

  • Wakana Matsuda-Sentou, Teruo Shinmyozu
    Resolution and chiroptical properties of [32](1,4)barrelenophanedicarbonitrile
    Tetrahedron: Asymmetry,�Volume 12, Issue 6,�17 April 2001, Pages 839-842

  • Yamaguchi, Y.; Shimoi, Y.; Ochi, T.; Wakamiya, T.; Matsubara, Y.; Yoshida, Z.-i.
    Photophysical Properties of Oligophenylene Ethynylenes Modified by Donor and/or Acceptor Groups
    J. Phys. Chem. A.; (Article); 2008; ASAP Article; DOI: 10.1021/jp7113219


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