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An efficient procedure for calculating the molecular gradient, using SCF-CI semiempirical wavefunctions with a limited number of configurations

✍ Scribed by Michael J.S. Dewar; Daniel A. Liotard


Book ID
113257032
Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
756 KB
Volume
206
Category
Article
ISSN
0166-1280

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