Comparison of Hartree - Fock, density functional, Møller-Plesset perturbation, coupled cluster, and configuration interaction methods for the migratory insertion of nitric oxide into a cobalt-carbon bond

Journal of Physical Chemistry A

Volumn 101, Issue 7, 1997, Pages 1360-1365

  Niu, Shuqiang ^a   Hall, Michael B ^a  

^a TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; COBALT; CORRELATION METHODS; GEOMETRY; HYDROCARBONS; NITROGEN OXIDES; NUMERICAL METHODS; OPTIMIZATION; PERTURBATION TECHNIQUES;

CONFIGURATION INTERACTION WITH SINGLES AND DOUBLES; COUPLED CLUSTER WITH SINGLES AND DOUBLES; DENSITY FUNCTIONAL THEORY; MIGRATORY INSERTION; PERTURBATIVE CORRECTIONS FOR TRIPLES; QUADRATIC CONFIGURATION INTERACTION WITH SINGLES AND DOUBLES; RELATIVE ENERGIES; RESTRICTED HARTREE-FOCK; SECOND ORDER MOLLER-PLESSET PERTURBATION; SIZE CONSISTENT CORRECTIONS;

BONDING;

EID: 0031076727     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp961558p     Document Type: Review

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