Consideration of an activity of the metallocene catalyst by using molecular mechanics, molecular dynamics and QSAR

Computational and Theoretical Polymer Science

Volumn 9, Issue 1, 1999, Pages 41-46

  Yao, Shigeru ^a   Shoji, Tatsuya ^a   Iwamoto, Yasumasa ^a   Kamei, Eiichi ^a  

^a UBE INDUSTRIES LTD   (Japan)

Author keywords

Activity Molecular mechanics; Metallocene catalyst; Molecular dynamics; Quantitative activity structure relationship (QSAR)

Indexed keywords

CATALYST ACTIVITY; CATALYSTS; COMPUTATIONAL METHODS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; OLEFINS; POLYMERIZATION;

METALLOCENE CATALYST; MOLECULAR MECHANICS; MOLECULAR ORBITAL CALCULATIONS; QUANTITATIVE ACTIVITY STRUCTURE RELATIONSHIP;

ORGANOMETALLICS;

MOLECULAR STRUCTURE; POLYETHYLENE; POLYMERIZATION; STRUCTURAL ANALYSIS;

EID: 0032872244     PISSN: 10893156     EISSN: None     Source Type: Journal    
DOI: 10.1016/S1089-3156(98)00051-8     Document Type: Article

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