The computational application of the Cahn–Ingold–Prelog rules 1 and 2
作者:
Edgar F. Meyer,
期刊:
Journal of Computational Chemistry
(WILEY Available online 1980)
卷期:
Volume 1,
issue 3
页码: 229-232
ISSN:0192-8651
年代: 1980
DOI:10.1002/jcc.540010303
出版商: John Wiley&Sons, Inc.
数据来源: WILEY
摘要:
AbstractCahn–Ingold–Prelog (CIP) rules 1 and 2 (material differences) have been expressed in the formal logic of a high‐level computer language (FORTRAN IV) on a laboratory minicomputer (PDP 11/40) by the program CHIRAL. An oversight in the CIP formalism in the treatment of rings was treated on anad hocbasis; the problem has been expressed simply in terms of elementary graph theory in a way consistent with and similar to chemical notation. An example of the operation of CHIRAL is provided and the internal procedu
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