Comment on "the interplay between steric and electronic effects in sn2 reactions"

Chemistry - A European Journal

Volumn 16, Issue 19, 2010, Pages 5538-5541

  Van Zeist, Willem Jan ^a   Bickelhaupt, F Matthias ^a  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

Author keywords

Energy decomposition analysis; Molecular modeling; Nucleopbilic substitution; Reaction mechanisms; Steric hindrance

Indexed keywords

ELECTRONIC EFFECTS; ELECTROSTATIC ATTRACTIONS; ENERGY DECOMPOSITION ANALYSIS; GEOMETRY RELAXATION; NUCLEOPBILIC SUBSTITUTION; ORBITAL INTERACTION; PAULI REPULSION; STERIC HINDRANCES; STERICALLY CONGESTED; TRANSITION STATE;

MOLECULAR MODELING;

CHEMICAL REACTIONS;

EID: 77952212732     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200902337     Document Type: Review

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13. 3C-C bond) and the Pauli repulsion goes again down.