Polymerization activity prediction of zirconocene single-site catalysts using 3D quantitative structure-activity relationship modeling

Organometallics

Volumn 31, Issue 5, 2012, Pages 1673-1679

  Martínez, Sonia ^b   Cruz, Víctor L ^a   Ramos, Javier ^a   Martínez Salazar, Javier ^a  

^a INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^b CSIC   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

3D-QSAR; CHEMOMETRIC TOOLS; CONFORMATIONAL ANALYSIS; CYCLOPENTADIENYL RINGS; DESCRIPTORS; POLYMERIZATION ACTIVITY; PREDICTIVE ABILITIES; PROGRESSIVE SCRAMBLING; QSAR MODEL; QSAR STUDIES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP MODELING; SINGLE-SITE CATALYSTS; STABLE CONFORMERS; SUBSTITUTION PATTERNS; ZIRCONOCENE CATALYST; ZIRCONOCENES;

CATALYSTS; COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS; POLYMERIZATION; ZIRCONIUM COMPOUNDS;

THREE DIMENSIONAL;

EID: 84858136743     PISSN: 02767333     EISSN: 15206041     Source Type: Journal    
DOI: 10.1021/om2007776     Document Type: Article

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