Accurate energies and structures for large water clusters using the X3LYP hybrid density functional

Journal of Physical Chemistry A

Volumn 108, Issue 47, 2004, Pages 10518-10526

  Su, Julius T ^a   Xu, Xin ^a   Goddard III, William A ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COVALENT BONDS; ROOT MEAN SQUARE (RMS); WATER CLUSTERS;

BINDING ENERGY; CHEMICAL BONDS; COMPUTATIONAL METHODS; ERROR ANALYSIS; MOLECULAR STRUCTURE; MONOMERS; PROBABILITY DENSITY FUNCTION; VAN DER WAALS FORCES;

WATER;

EID: 10044242685     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp047502+     Document Type: Article

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