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A comparative study of electrostatic potential maps obtained with different basis sets

✍ Scribed by Jan Almlöf; Åse Støg→d

Publisher: Elsevier Science
Year: 1974
Tongue: English
Weight: 346 KB
Volume: 29
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(74)85135-3

No coin nor oath required. For personal study only.

✦ Synopsis

Electrostatic potential r,laps are plotted using five different basis sets for the ethylene molecule. Basis sets of at least double zeta~quality ought to be used in order to obtain rcliab!e details in the potential around 2 molecl?le.

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