The critical role of force-fields in property prediction

New Journal of Chemistry

Volumn 23, Issue 2, 1999, Pages 153-163

  Ósk Jónsdóttir, Svava ^a   Welsh, William J ^b   Rasmussen, Kjeld ^a   Klein, Roger A ^c  

^a TECHNICAL UNIVERSITY OF DENMARK   (Denmark)

^b UNIVERSITY OF MISSOURI ST LOUIS   (United States)

^c UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; ALCOHOL; BUTANE; CHEMICAL COMPOUND; CYCLOHEXANE; DIMETHYL ETHER; ETHYLAMINE; ETHYLENE GLYCOL; METHANOL; WATER;

ARTICLE; CALCULATION; CONFORMATION; CONTROLLED STUDY; ELECTRICITY; ENERGY; FORCE; MOLECULAR INTERACTION; PREDICTION; PRIORITY JOURNAL; RELIABILITY; SIMULATION;

EID: 0345151816     PISSN: 11440546     EISSN: None     Source Type: Journal    
DOI: 10.1039/a805546g     Document Type: Article

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