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On the choice of the active space and the basis set for MCSCF calculations on small molecules and reactive surfaces

✍ Scribed by Eriksson, Leif A.; Lopez, Xabier; Boyd, Russell J.

Book ID: 121349156
Publisher: American Chemical Society
Year: 1993
Tongue: English
Weight: 635 KB
Volume: 97
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100148a021

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