Molecular modeling of methane diffusion in glassy atactic polypropylene via multidimensional transition state theory

Macromolecules

Volumn 31, Issue 20, 1998, Pages 7068-7090

  Greenfield, Michael L ^a,c   Theodorou, Doros N ^b  

^a University of California   (United States)

^b UNIVERSITY OF PATRAS   (Greece)

^c FORD RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; DIFFUSION; GEOMETRY; MATHEMATICAL MODELS; METHANE; POTENTIAL ENERGY; RATE CONSTANTS;

ELEMENTARY JUMPS; FUKUI INTRINSIC REACTION COORDINATE APPROACH; MOLECULAR MODELING; MULTIDIMENSIONAL TRANSITION STATE THEORY;

POLYPROPYLENES;

EID: 0032491113     PISSN: 00249297     EISSN: None     Source Type: Journal    
DOI: 10.1021/ma980750h     Document Type: Article

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