✦ LIBER ✦

A molecular mechanics (MM2) study of Furan, Thiophene, and related compounds

✍ Scribed by Julia C. Tai; Jenn-Huei Lii; Norman L. Allinger

Publisher: John Wiley and Sons
Year: 1989
Tongue: English
Weight: 827 KB
Volume: 10
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540100506

No coin nor oath required. For personal study only.

✦ Synopsis

The molecular mechanics calculations reported earlier for nitrogen heterocycles have now been extended to include the title compounds, and related molecules. It is in general possible to calculate these structures with an accuracy that compares favorably with experiment.

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