Singlet-triplet energy gap for trimethylenemethane, oxyallyl diradical, and related species: Single- and multireference computational results

Theoretical Chemistry Accounts

Volumn 130, Issue 4-6, 2011, Pages 739-748

  Saito, Toru ^a   Nishihara, Satomichi ^a   Yamanaka, Shusuke ^a   Kitagawa, Yasutaka ^a   Kawakami, Takashi ^a   Yamada, Satoru ^a   Isobe, Hiroshi ^a   Okumura, Mitsutaka ^a   Yamaguchi, Kizashi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

Broken symmetry method; Diradical species; Multireference coupled cluster; Spin projection method

Indexed keywords

EID: 81855185280     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-011-0914-z     Document Type: Article

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