A multicentered approach to integrated QM/QM calculations. Applications to multiply hydrogen bonded systems

Journal of Computational Chemistry

Volumn 24, Issue 13, 2003, Pages 1563-1568

  Hopkins, Brian W ^a   Tschumper, Gregory S ^a  

^a UNIVERSITY OF MISSISSIPPI   (United States)

Author keywords

Hydrogen bonded systems; Integrated calculations; QM QM technique

Indexed keywords

ALCOHOLS; ATOMIC PHYSICS; CALCULATIONS; COMPLEXATION; COMPUTATIONAL METHODS; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULES; POLYNOMIALS; WATER;

HIGH LEVEL CALCULATION; HYDROGEN BONDED SYSTEMS; INTEGRATED CALCULATIONS; MILTICENTERED APPROACH; MULTICENTERED TECHNIQUES; POLYNOMIAL SCALING;

QUANTUM THEORY;

EID: 0042282739     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/jcc.10319     Document Type: Article

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