Computational studies of the Brookhart's type catalysts for ethylene polymerization. 1. Effect of the active site conformations on the catalyst activities

Polymer

Volumn 42, Issue 19, 2001, Pages 8019-8023

  Ramos, J ^a   Cruz, V ^b   Muoz Escalona, A ^c   Martinez Salazar J ^a  

^a INSTITUTO DE ESTRUCTURA DE LA MATERIA   (Spain)

^b CSIC   (Spain)

^c REPSOL YPF   (Spain)

Author keywords

DFT calculations; Homogeneous catalysis; Poly(ethylene)

Indexed keywords

ATOMS; ETHYLENE; NITROGEN; POLYMERIZATION;

CATIONIC SPECIES;

CATALYSTS;

CATION; POLYETHYLENE;

ARTICLE; CALCULATION; CATALYSIS; CATALYST; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; MATHEMATICAL ANALYSIS; POLYMERIZATION; STRUCTURE ACTIVITY RELATION; THEORY;

COMPUTER SIMULATION; MATHEMATICAL ANALYSIS; MODEL; POLYMERIZATION;

EID: 0035908133     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0032-3861(01)00320-2     Document Type: Article

References (18)