On the development of a general force field for the molecular simulation of perfluoroethers

Molecular Physics

Volumn 101, Issue 14, 2003, Pages 2157-2169

  Li, H ^a   McCabe, C ^b   Cui, S T ^a,c   Cummings, P T ^c,d   Cochran, H D ^a,c  

^a University of Tennessee Knoxville   (United States)

^b Department of Geology and Geological Engineering   (United States)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

^d VANDERBILT UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; CHEMICAL BONDS; COMPUTER SIMULATION; ELECTROSTATICS; HYDROCARBONS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NUMERICAL ANALYSIS; OPTIMIZATION; PHASE EQUILIBRIA; QUANTUM THEORY; VAN DER WAALS FORCES;

NONBONDED INTERACTIONS; PERFLUOROETHERS;

ETHERS;

EID: 1542347751     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000154329     Document Type: Article

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