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Bond functions for ab initio calculations on polyatomic molecules. Molecules containing C, N, O and H

✍ Scribed by Daniel Neisius; Georges Verhaegen

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 435 KB
Volume: 78
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)85573-x

No coin nor oath required. For personal study only.

✦ Synopsis

hameters (exponent and posItIon) have been optunlzsd for bond funcrions and lone-pau funchons to be added to basis sets 6-31G Smgle average values are proposed for C-H N-H and O-H.

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