Fluoropolymer force fields derived from semiempirical molecular orbital calculations

Polymer

Volumn 37, Issue 10, 1996, Pages 1847-1855

  Holt, D B ^a   Farmer, B L ^a   Macturk, K S ^b,c   Eby, R K ^b  

^a University of Virginia   (United States)

^b UNIVERSITY OF AKRON   (United States)

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

Author keywords

Fluoropolymers; Force fields; Semiempirical MO calculations

Indexed keywords

CALCULATIONS; DEFECTS; GEOMETRY; MECHANICS; MOLECULAR DYNAMICS; MOLECULES; PHASE TRANSITIONS; POLYTETRAFLUOROETHYLENES; VAN DER WAALS FORCES;

FLUOROPOLYMER FORCE FIELDS; INTERMOLECULAR ATTRACTION; INTRAMOLECULAR GEOMETRY; MOLECULAR MECHANICS; PERFLUOROALKANES; PERFLUOROHEXADECANE; SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS;

FLUORINE CONTAINING POLYMERS;

EID: 0029710725     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/0032-3861(96)87301-0     Document Type: Article

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