CCSD(T) calculations of the electron affinity of the uracil molecule

Chemical Physics Letters

Volumn 481, Issue 1-3, 2009, Pages 107-111

  Dedíková, Pavlína ^a   Demovič, Lukáš ^a   Pitoňák, Michal ^a,b   Neogrády, Pavel ^a   Urban, Miroslav ^a,c  

^a Physics and Informatics   (Slovakia)

^b INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^c SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC ELECTRON AFFINITY; BASIS SETS; CCSD; CCSD CALCULATIONS; OPTIMIZED VIRTUAL ORBITAL SPACES; VERTICAL DETACHMENT ENERGIES; VIRTUAL ORBITALS;

ELECTRON AFFINITY;

EID: 72049117610     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.09.034     Document Type: Article

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