Rationalizing the strength of hydrogen-bonded complexes. Ab initio HF and DFT studies

Journal of Physical Chemistry A

Volumn 106, Issue 29, 2002, Pages 6775-6782

  Lukin, Oleg ^a   Leszczynski, Jerzy ^a  

^a JACKSON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN-BONDED COMPLEXES;

COMPLEXATION; ELECTROSTATICS; ENTHALPY; ENTROPY; FREE ENERGY; PROBABILITY DENSITY FUNCTION; X RAY ANALYSIS;

HYDROGEN BONDS;

EID: 0037173855     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0145154     Document Type: Article

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