ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A general scheme is proposed for the study of the interrelations and transformations of flexible functional groups within the configuration space M of all possible chemical species of a fixed overall stoichiometry S. The methods presented provide a concise but sufficiently detailed description of the occurrence of various functional groups in different families of nuclear arrangements, as well as their transformations into one another during chemical reactions and conformational changes. The approach uses experimental information on the importance of various functional groups, topological criteria for the flexibility of these functional groups, and the fundamental pattern of distribution of configurational families within the nuclear configuration space. The resulting schemes have simple, easily programmable representations. © 1992 John Wiley & Sons, Inc.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560430504
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