Transition-state energy and position along the reaction coordinate in an extended activation strain model

ChemPhysChem

Volumn 8, Issue 8, 2007, Pages 1170-1181

  De Jong, G Theodoor ^a   Bickelhaupt, F Matthias ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Activation strain model; Density functional calculations; Homogeneous catalysis; Oxidative addition; Reaction mechanisms

Indexed keywords

ACTIVATION ANALYSIS; CATALYSIS; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; ETHANE; SHIELDING;

ACCURATE CALCULATIONS; ACTIVATION STRAIN MODEL; HOMOGENEOUS CATALYSIS; OXIDATIVE ADDITIONS; REACTION MECHANISM; RELATIVISTIC DENSITY FUNCTIONAL THEORY; STABILIZING INTERACTIONS; TRANSITION STATE ENERGIES;

ACTIVATION ENERGY;

EID: 34250366259     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.200700092     Document Type: Article

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