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Additions and corrections: ?Force field calculations (MM3) on glyoxal, quinones, and related compounds,? N. L. Allinger and Y. Fan,J. Comput. Chem.,15: 251(1994)

✍ Scribed by Higo, Junichi; Nakajima, Nobuyuki; Shirai, Hiroki; Kidera, Akinori; Nakamura, Haruki

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 66 KB
Volume: 18
Category: Article
ISSN: 0192-8651
DOI: 10.1002/(sici)1096-987x(199712)18:16<2093::aid-jcc13>3.0.co;2-p

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✦ Synopsis

Additions and Corrections: ''Force Field ( ) Calculations MM3 on Glyoxal, Quinones, and Related Compounds,'' N. L. Allinger and Y. Fan, J. Comput. ( ) Chem., 15, 251 1994

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✍ Norman L. Allinger; Yi Fan 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 English ⚖ 991 KB

A general force field type of calculation has been devised in connection with MM3 to treat 1,2-and 1,4-diketones, both when they are not conjugated (as in derivatives of glyoxal) and when they are conjugated (as in derivatives of ortho-and para-benzoquinone). The molecular structures, moments of ine