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LiqCryst - Functionality

Main features of LiqCryst:

  • Data analysis: LiqCryst allows simple statistical analysis of structure / property relationships, e.g. two substructures can be compared by their transition temperatures.

  • Data prediction: as a first step to an expert system, the program gives the opportunity to predict transition temperatures of new compounds by statistical extrapolations from known similar compounds.

  • Search by connectivity: a substructure can be drawn with any drawing program or with LiqCryst itself.

  • Search by line notation: a substructure can be given as simple text like CH3-Ph-COO-Ph-CN.

  • Data exchange with other Windows programs: chemical structures, drawings, text informations and numerical data can be easily exchanged with word processors (e.g. Winword), spreadsheets (e.g. Excel), molecular modelling programs (e.g. MOPAC, HyperChem) and chemistry drawing tools (e.g. IsisDraw, ChemDraw) via the clipboard.

  • Graphical display: a graphical display and numerical analysis of material parameters (e.g. density, refractive index, order parameter etc…) versus temperature is available. Numerical tables of temperature dependent physical parameters are listed in a property type. These tables generate automatically diagrams. A full set of functions and forms has been added to LiqCryst to allow display and analysis of tables of parameters.