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Science (New York, N.Y.)
|
June 7, 1985
Quantum chemistry: the quantum theory of unimolecular reactions
D G Truhlar
Science (New York, N.Y.)
|
April 10, 1992
An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation
C J Cramer, D G Truhlar
Science (New York, N.Y.)
|
August 3, 1990
From force fields to dynamics: classical and quantal paths
D G Truhlar, M S Gordon
Journal of Computer-Aided Molecular Design
|
December 1, 1992
AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution
C J Cramer, D G Truhlar
Proceedings of the National Academy of Sciences of the United States of America
|
October 1, 1979
Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H(2) and H + H(2)
B C Garrett, D G Truhlar
Journal of the American Chemical Society
|
August 2, 2001
Solvent-dependent transition states for decarboxylations
D Sicinska, D G Truhlar, P Paneth
Biophysical Chemistry
|
October 13, 2006
Application of a universal solvation model to nucleic acid bases: comparison of semiempirical molecular orbital theory, ab initio Hartree-Fock theory, and density functional theory
J Li, C J Cramer, D G Truhlar
The Journal of Chemical Physics
|
November 5, 2005
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions
Yan Zhao, Nathan E Schultz, D G Truhlar
Journal of the American Chemical Society
|
July 18, 2001
Reductive dechlorination of hexachloroethane in the environment: mechanistic studies via computational electrochemistry
E V Patterson, C J Cramer, D G Truhlar
Journal of Computer-Aided Molecular Design
|
February 1, 1995
Class IV charge models: a new semiempirical approach in quantum chemistry
J W Storer, D J Giesen, C J Cramer, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Science (New York, N.Y.)
|
June 7, 1985
Quantum chemistry: the quantum theory of unimolecular reactions
D G Truhlar
Science (New York, N.Y.)
|
April 10, 1992
An SCF Solvation Model for the Hydrophobic Effect and Absolute Free Energies of Aqueous Solvation
C J Cramer, D G Truhlar
Science (New York, N.Y.)
|
August 3, 1990
From force fields to dynamics: classical and quantal paths
D G Truhlar, M S Gordon
Journal of Computer-Aided Molecular Design
|
December 1, 1992
AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution
C J Cramer, D G Truhlar
Proceedings of the National Academy of Sciences of the United States of America
|
October 1, 1979
Reliable ab initio calculation of a chemical reaction rate and a kinetic isotope effect: H + H(2) and H + H(2)
B C Garrett, D G Truhlar
Journal of the American Chemical Society
|
August 2, 2001
Solvent-dependent transition states for decarboxylations
D Sicinska, D G Truhlar, P Paneth
Biophysical Chemistry
|
October 13, 2006
Application of a universal solvation model to nucleic acid bases: comparison of semiempirical molecular orbital theory, ab initio Hartree-Fock theory, and density functional theory
J Li, C J Cramer, D G Truhlar
The Journal of Chemical Physics
|
November 5, 2005
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions
Yan Zhao, Nathan E Schultz, D G Truhlar
Journal of the American Chemical Society
|
July 18, 2001
Reductive dechlorination of hexachloroethane in the environment: mechanistic studies via computational electrochemistry
E V Patterson, C J Cramer, D G Truhlar
Journal of Computer-Aided Molecular Design
|
February 1, 1995
Class IV charge models: a new semiempirical approach in quantum chemistry
J W Storer, D J Giesen, C J Cramer, et al.
Page
of 2