Bonding Properties of the Water Dimer: A Comparative Study of Density Functional Theories

Journal of Physical Chemistry A

Volumn 108, Issue 12, 2004, Pages 2305-2313

  Xu, Xin ^a,b   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^b XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORIES; DIPOLE MOMENTS; POLARIZABILITY;

BINDING ENERGY; CHEMICAL BONDS; COMPUTATIONAL METHODS; DISPERSIONS; FREQUENCIES; HYDROGEN BONDS; INERT GASES; IONIZATION; MONOMERS; OPTIMIZATION; PARAMETER ESTIMATION; PROBABILITY DENSITY FUNCTION; PROTEINS; VAN DER WAALS FORCES; VIBRATION CONTROL;

DIMERS;

EID: 1842737697     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp035869t     Document Type: Article

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