Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
Letters (Selected Paper)
Simplified Enumeration of Benzene Isomsers Based on the GAP System
Shinsaku FUJITA
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2018 Volume 17 Issue 3 Pages 142-143

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Abstract

After the development of a GAP command for calculating cycle indices with chirality fittingness (CICFs), benzene derivatives have been enumerated as 3D molecular entities.

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© 2018 Society of Computer Chemistry, Japan
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