𝔖 Bobbio Scriptorium
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Testing ab initio procedures; The 6–31G∗ model

✍ Scribed by Michael J.S. Dewar; Brendan M. O'Connor

Book ID
103026023
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
411 KB
Volume
138
Category
Article
ISSN
0009-2614

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✦ Synopsis

Revised estimates are given of the effective errors in molecular energies calculated by the 3-2 1 G and 6-3 1 G* ab initio quantum mechanical models, using a recently developed procedure.

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