Comparison of polarization consistent and correlation consistent basis sets for noncovalent interactions

International Journal of Quantum Chemistry

Volumn 109, Issue 1, 2009, Pages 91-96

  Elsohly, Adel M ^a   Tschumper, Gregory S ^a  

^a UNIVERSITY OF MISSISSIPPI   (United States)

Author keywords

Complete basis set limit; Correlation consistent basis sets; Hydrogen bonding; Noncovalent interactions; Polarization consistent basis sets

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; CBS LIMITS; COMPLETE BASIS SET LIMIT; COMPLETE BASIS SETS; CORRELATION CONSISTENT BASIS SETS; COUNTERPOISE CORRECTIONS; DIFFUSE FUNCTIONS; DISSOCIATION ENERGIES; DUNNING'S CORRELATIONS; HYDROGEN BONDING; NONCOVALENT INTERACTIONS; NONHYDROGEN ATOMS;

CONTEXT SENSITIVE GRAMMARS; CORRELATION METHODS; ELECTRIC CIRCUIT BREAKERS; FLOW INTERACTIONS; HYDROGEN; HYDROGEN BONDS; POLARIZATION;

MOLECULAR ORBITALS;

EID: 58149242260     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21876     Document Type: Article

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