Computational studies of the Brookhart's type catalysts for ethylene polymerisation. Part 2: Ethylene insertion and chain transfer mechanisms

Polymer

Volumn 44, Issue 7, 2003, Pages 2169-2176

  Ramos, J ^a   Cruz, V ^b   Munoz Escalona A ^a   Martinez S ^a   Martinez Salazar J ^a  

^a INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^b CSIC Centro Tecnico de Informatica CTI   (Spain)

Author keywords

Brookhart catalyst; DFT; Ethylene polymerisation

Indexed keywords

CATALYST ACTIVITY; COMPUTATIONAL METHODS; CONFORMATIONS; COORDINATION REACTIONS; ETHYLENE; MOLECULAR WEIGHT; MONOMERS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; THERMODYNAMICS;

CHAIN TRANSFER MECHANISMS;

POLYMERIZATION;

ALKYL GROUP; ETHYLENE; HYDROGEN; IMINE; LIGAND; N,N' (2,6 DIMETHYLPHENYL)ETHYLENEDIIMINE NICKEL; N,N' (2,6 DIMETHYLPHENYL)PYRIDINE 2 CARBOXALDIIMINE NICKEL; NICKEL; POLYMER; PYRIDINE 2 CARBOXALDIIMINE; PYRIDINE DERIVATIVE; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CATALYST; DENSITY; ENERGY; KINETICS; MOLECULAR WEIGHT; POLYMERIZATION; THERMODYNAMICS;

POLYMERIZATION;

EID: 0037424644     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(03)00088-0     Document Type: Article

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