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Volumn 19, Issue 24, 2000, Pages 5182-5189
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A combined density functional and molecular dynamics study on ethylene insertion into the Cp2ZrEt-MeB(C6F5)3 ion-pair
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Author keywords
[No Author keywords available]
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Indexed keywords
CATALYSTS;
CHEMICAL BONDS;
COMPLEXATION;
CONFORMATIONS;
ETHYLENE;
MOLECULAR DYNAMICS;
NEGATIVE IONS;
POLYMERIZATION;
PROBABILITY DENSITY FUNCTION;
ZIRCONIUM;
ASSOCIATIVE MECHANISM;
CONTACT ION PAIR;
DISSOCIATIVE MECHANISM;
ETHYL CHAIN;
FIRST PRINCIPLES MOLECULAR DYNAMIC METHODS;
INSERTION PROCESS;
STATIC DENSITY FUNCTIONAL METHOD;
ORGANOMETALLICS;
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EID: 0034316865
PISSN: 02767333
EISSN: None
Source Type: Journal
DOI: 10.1021/om000486s Document Type: Article |
Times cited : (101)
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References (2)
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