Reaction path hamiltonian analysis of dynamical solvent effects for a claisen rearrangement and a diels-alder reaction

Journal of Physical Chemistry A

Volumn 104, Issue 34, 2000, Pages 8058-8066

  Hu, Hong ^a   Kobrak, Mark N ^a   Xu, Changsen ^a   Hammes Schiffer, Sharon ^a  

^a UNIVERSITY OF NOTRE DAME   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC CHARGE MEASUREMENT; ELECTRONIC STRUCTURE; ELECTROSTATICS; PHASE TRANSITIONS; POTENTIAL ENERGY; SOLVENTS; WATER;

CLAISEN REARRANGEMENT; DIELS-ALDER REACTION; ENERGY PATHS; REACTIVE FLUX MOLECULAR DYNAMICS; SOLVENT EFFECTS;

MOLECULAR DYNAMICS;

EID: 0034249996     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000449e     Document Type: Article

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