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Archives of Biochemistry and Biophysics
|
May 27, 2015
Transition state theory for enzyme kinetics
Donald G Truhlar
Journal of Computational Chemistry
|
October 24, 2006
Valence bond theory for chemical dynamics
Donald G Truhlar
Nature Chemistry
|
October 25, 2013
Chemical reactivity: Inverse solvent design
Donald G Truhlar
Journal of the American Chemical Society
|
December 17, 2008
Molecular modeling of complex chemical systems
Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
November 17, 2021
Potential energy surface for high-energy N + N<sub>2</sub> collisions
Zoltan Varga, Donald G Truhlar
The Journal of Chemical Physics
|
April 10, 2012
Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors
Roberto Peverati, Donald G Truhlar
The Journal of Chemical Physics
|
February 26, 2009
Calculation of semiconductor band gaps with the M06-L density functional
Yan Zhao, Donald G Truhlar
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics
Roberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation
|
February 12, 2021
Spin-Orbit Coupling Changes the Identity of the Hyper-Open-Shell Ground State of Ce<sup>+</sup>, and the Bond Dissociation Energy of CeH<sup>+</sup> Proves to Be Challenging for Theory
Jiaxin Ning, Donald G Truhlar
The Journal of Chemical Physics
|
June 6, 2008
Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford bound
Yan Zhao, Donald G Truhlar
Page
of 65
Search research articles
Search
Showing results (1-10 of 645) with videos related to
Sort By:
Page
of 65
Archives of Biochemistry and Biophysics
|
May 27, 2015
Transition state theory for enzyme kinetics
Donald G Truhlar
Journal of Computational Chemistry
|
October 24, 2006
Valence bond theory for chemical dynamics
Donald G Truhlar
Nature Chemistry
|
October 25, 2013
Chemical reactivity: Inverse solvent design
Donald G Truhlar
Journal of the American Chemical Society
|
December 17, 2008
Molecular modeling of complex chemical systems
Donald G Truhlar
Physical Chemistry Chemical Physics : PCCP
|
November 17, 2021
Potential energy surface for high-energy N + N<sub>2</sub> collisions
Zoltan Varga, Donald G Truhlar
The Journal of Chemical Physics
|
April 10, 2012
Performance of the M11-L density functional for bandgaps and lattice constants of unary and binary semiconductors
Roberto Peverati, Donald G Truhlar
The Journal of Chemical Physics
|
February 26, 2009
Calculation of semiconductor band gaps with the M06-L density functional
Yan Zhao, Donald G Truhlar
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
February 12, 2014
Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics
Roberto Peverati, Donald G Truhlar
Journal of Chemical Theory and Computation
|
February 12, 2021
Spin-Orbit Coupling Changes the Identity of the Hyper-Open-Shell Ground State of Ce<sup>+</sup>, and the Bond Dissociation Energy of CeH<sup>+</sup> Proves to Be Challenging for Theory
Jiaxin Ning, Donald G Truhlar
The Journal of Chemical Physics
|
June 6, 2008
Construction of a generalized gradient approximation by restoring the density-gradient expansion and enforcing a tight Lieb-Oxford bound
Yan Zhao, Donald G Truhlar
Page
of 65