Which Ab initio wave function methods are adequate for quantitative calculations of the energies of biradicals? the performance of coupled-cluster and multi-reference methods along a single-bond dissociation coordinate

Journal of Chemical Theory and Computation

Volumn 9, Issue 1, 2013, Pages 418-431

  Yang, Ke R ^a   Jalan, Amrit ^b   Green, William H ^b   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

^b Massachusetts Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84872141880     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct3009528     Document Type: Article

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