A quantum chemistry based force field for perfluoroalkanes and poly(tetrafluoroethylene)

Journal of Physical Chemistry B

Volumn 106, Issue 38, 2002, Pages 9912-9922

  Borodin, Oleg ^a   Smith, Grant D ^a   Bedrov, Dmitry ^a  

^a Department of Electrical and Computer Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM CHEMISTRY; TORSIONAL AUTOCORRELATION FUNCTION (TACF);

COMPUTER SIMULATION; HYDROPHOBICITY; ISOMERS; MOLECULAR DYNAMICS; QUANTUM THEORY; THERMODYNAMIC STABILITY; X RAY ANALYSIS;

POLYMERS;

EID: 0037180010     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp026158i     Document Type: Article

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