The 'tailored' CCSD(T) description of the automerization of cyclobutadiene

Chemical Physics Letters

Volumn 501, Issue 4-6, 2011, Pages 166-171

  Lyakh, Dmitry I ^a   Lotrich, Victor F ^a   Bartlett, Rodney J ^a  

^a UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALTERNATIVE ROUTES; AUTOMERIZATION; CCSD; COMPUTATIONAL DEMANDS; COUPLED-CLUSTER SINGLES AND DOUBLES; CYCLOBUTADIENES; ELECTRON CORRELATION EFFECT; MULTI REFERENCE; TRANSITION STATE;

QUANTUM CHEMISTRY;

BUTADIENE;

EID: 78650810914     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.11.058     Document Type: Article

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