Explicitly correlated intermolecular distances and interaction energies of hydrogen bonded complexes

Journal of Chemical Physics

Volumn 131, Issue 3, 2009, Pages

  Lane, Joseph R ^a   Kjaergaard, Henrik G ^a  

^a UNIVERSITY OF OTAGO   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

SET THEORY;

BASIS SET SUPERPOSITION ERRORS; COMPLETE BASIS SET LIMIT; CORRELATION CONSISTENT BASIS SETS; COUNTERPOISE CORRECTION; HYDROGEN-BONDED COMPLEXES; INTERACTION ENERGIES; INTERMOLECULAR DISTANCE; LOWEST ENERGY STRUCTURE;

HYDROGEN BONDS;

EID: 67651165403     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3159672     Document Type: Article

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