The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry

Journal of Physical Chemistry A

Volumn 105, Issue 2, 2001, Pages 306-307

  Gordon, Mark S ^a,e   Freitag, Mark A ^b   Bandyopadhyay, Pradipta ^c   Jensen, Jan H ^d   Kairys, Visvaldas ^e   Stevens, Walter J ^a  

^a IOWA STATE UNIVERSITY   (United States)

^b E11 SSH   (United States)

^c NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^d UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE   (United States)

^e U S DEPARTMENT OF ENERGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONS; ENVIRONMENTAL IMPACT; HAMILTONIANS; MATHEMATICAL MODELS; MOLECULES; PHASE EQUILIBRIA; WATER;

AQUEOUS SOLVATION; EFFECTIVE FRAGMENT POTENTIAL METHOD; MENSHUTKIN REACTION; QUANTUM CHEMISTRY;

CHEMISTRY;

EID: 0035138053     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002747h     Document Type: Article

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