The Performance of the Handy/Cohen Functionals, OLYP and...

Journal of Physical Chemistry A 2004 / 04 Vol. 108; Iss. 15

The Performance of the Handy/Cohen Functionals, OLYP and O3LYP, for the Computation of Hydrocarbon Pericyclic Reaction Activation Barriers †

Guner, Vildan A., Khuong, Kelli S., Houk, K. N., Chuma, Anthony, Pulay, Peter
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Volume:
108
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp0369286
Date:
April, 2004
File:
PDF, 187 KB
english, 2004
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