Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals

Chemical Physics Letters

Volumn 418, Issue 4-6, 2006, Pages 467-474

  Piecuch, Piotr ^a   Włoch, Marta ^a   Gour, Jeffrey R ^a   Kinal, Armagan ^a  

^a MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ANALYSIS; ENTHALPY; ISOMERIZATION; OLEFINS; THERMAL EFFECTS;

ACTIVATION ENTHALPY; BIRADICALS; BOND-BREAKING REGION; THERMAL ISOMERIZATIONS;

CHEMICAL BONDS;

EID: 31044441164     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.10.116     Document Type: Article

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