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Knowledge-Based Libraries Derived from the CSD

Two basic uses of the CSD are to study intramolecular geometry, particularly the conformational preferences exhibited by molecules and chemical fragments, and intermolecular interactions, including hydrogen bonds and other interactions. To provide rapid click of a button access to such standard derived information, the CSD System also contains two major knowledge-based libraries. [Pg.80]

C lick lo (d )Ml el bars fiKek and drag lo (da)ailact a langs [Pg.80]

3) CRYSTALS program package for crystal structure determination, http //www.xtl.ox.ac.uk. [Pg.81]

H only (7) Methyl, ethyl, ethynyl, methylene, i-propyl, vinyl, t-butyl [Pg.82]

H only (20) Amino, azido, imino, cyano, diazonium, guanidino [Pg.82]


See other pages where Knowledge-Based Libraries Derived from the CSD is mentioned: [Pg.80]    [Pg.2267]   


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CSD

Knowledge bases

Knowledge-based

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