Performance of the Spin-Flip and Multireference Methods for...

Journal of Physical Chemistry A 2007 / 12 Vol. 111; Iss. 50

Performance of the Spin-Flip and Multireference Methods for Bond Breaking in Hydrocarbons:  A Benchmark Study

Golubeva, Anna A., Nemukhin, Alexandr V., Klippenstein, Stephen J., Harding, Lawrence B., Krylov, Anna I.
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Volume:
111
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp0764079
Date:
December, 2007
File:
PDF, 162 KB
english, 2007
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