Analytic energy gradients in combined second order Møller-Plesset perturbation theory and conductorlike polarizable continuum model calculation

Journal of Chemical Physics

Volumn 135, Issue 14, 2011, Pages

  Si, Dejun ^a   Li, Hui ^a  

^a UNIVERSITY OF NEBRASKA LINCOLN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONTINUUM MECHANICS; GASES; HYDROGEN BONDS; SOLUTIONS;

ADENINE-THYMINE; CLOSED SHELLS; ENERGY GRADIENTS; GASPHASE; GUANINE CYTOSINES; NUCLEOBASES; OPEN-SHELL; PERTURBATION THEORY; PLESSET PERTURBATION THEORY; POLARIZABLE CONTINUUM MODEL; SECOND ORDERS;

PERTURBATION TECHNIQUES;

EID: 84962383301     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3649947     Document Type: Article

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