Non-covalent interactions using local correlation methods: Energy partitioning, geometry optimisation and harmonic frequency calculations

Molecular Physics

Volumn 108, Issue 11, 2010, Pages 1497-1504

  Platts, James A ^a   Grant Hill, J ^a,b  

^a CARDIFF UNIVERSITY   (United Kingdom)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

hydrogen bonding; Local correlation; non covalent interactions; pi stacking; zero point energy

Indexed keywords

HYDROGEN BONDINGS; LOCAL CORRELATIONS; NON-COVALENT INTERACTION; PI-STACKING; ZERO-POINT ENERGIES;

BINDING ENERGY; COMPLEXATION; DENSITY FUNCTIONAL THEORY; GEOMETRY; HYDROGEN BONDS; OPTIMIZATION; PARALLEL ARCHITECTURES;

CORRELATION METHODS;

EID: 77954059318     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268971003757977     Document Type: Article

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