Abstract
The ChemCard module containing data on the structure of disclike molecules was designed for the purpose of developing a software program for successively solving the problem of constructing discotic mesogens and compounds capable of forming nematic mesophases. The module incorporates parameters of both hypothetical and known molecules, such as the molecular weight of central and peripheral fragments, the length, width, and thickness of a molecule and its parts, the number of substituents attached to the central fragment, and some electron characteristics. Calculated values of standard molecular parameters are displayed automatically, and the possibility of a particular type of mesomorphism is predicted for a specific compound. The program runs under Windows 95 and Windows NT and requires at least 8 MB RAM and free disk space of at least 600 kB. At present, the ChemCard module contains molecular parameters and mesomorphism predictions for more than 1000 disclike compounds.
Published Version
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