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Journal of Organic Chemistry

Volumn 73, Issue 3, 2008, Pages 912-922

A new solvent-dependent mechanism for a triazolinedione ene reaction

(2) Acevedo, Orlando a Squillacote, Michael E a

a AUBURN UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN BOND STABILIZATION; RADIAL DISTRIBUTION FUNCTIONS; SOLUTE-SOLVENT INTERACTION ENERGIES;

FREE ENERGY; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; REACTION KINETICS; STATISTICAL MECHANICS;

KETONES;

4 PHENYL 1,2,4 TRIAZOLINE 3,5 DIONE; ACETONITRILE; ALKENE; AMPHOLYTE; AZIRIDINE DERIVATIVE; AZIRIDINIUM IMIDE; DIMETHYL SULFOXIDE; ETHYLENE DERIVATIVE; METHANOL; METHYL GROUP; SOLVENT; TETRAMETHYLETHYLENE; TRIAZOLINEDIONE; UNCLASSIFIED DRUG; WATER;

ACCURACY; ARTICLE; ATOM; CHEMICAL INTERACTION; CHEMICAL REACTION; CHEMICAL STRUCTURE; CONDUCTOR LIKE POLARIZABLE CONTINUUM MODEL; DENSITY FUNCTIONAL THEORY; FREE ENERGY PERTURBATION THEORY; HYDROGEN BOND; ION TRANSPORT; MATHEMATICAL MODEL; METHODOLOGY; MOLECULAR MECHANICS; MONTE CARLO METHOD; OPEN INTERMEDIATE; PARAMETER; POLARIZATION; POTENTIALS OF MEAN FORCE; QUANTUM MECHANICS; SIMULATION; SOLUTE; SOLVATION; STEREOCHEMISTRY;

EID: 38849203157 PISSN: 00223263 EISSN: None Source Type: Journal
DOI: 10.1021/jo7022153 Document Type: Article

Times cited : (28)

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