Combined quantum mechanics: Interatomic potential function investigation of rac-meso configurational stability and rotational transition in zirconocene-based ziegler-natta catalysts

Journal of Physical Chemistry A

Volumn 104, Issue 46, 2000, Pages 10932-10938

  Maiti, Amitesh ^a   Sierka, Marek ^b   Andzelm, Jan ^c   Golab, Joe ^a   Sauer, Joachim ^b  

^a ACCELRYS INC   (United States)

^b BPAmoco Naperville Complex   (United States)

^c HUMBOLDT UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSTS; FLOW INTERACTIONS; ISOMERS; PHYSICAL PROPERTIES; POLYMERS; STRUCTURE (COMPOSITION); SYNTHESIS (CHEMICAL);

ZIEGLER-NATTA CATALYSTS;

QUANTUM THEORY;

EID: 0034322095     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp002056l     Document Type: Article

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