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Journal of Computational Chemistry
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December 17, 2002
Fast approximate methods for calculating nucleic acid base pair interaction energies
Edward C Sherer, Darrin M York, Christopher J Cramer
The Journal of Physical Chemistry. B
|
February 20, 2008
Extension of a temperature-dependent aqueous solvation model to compounds containing nitrogen, fluorine, chlorine, bromine, and sulfur
Adam C Chamberlin, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B
|
January 12, 2007
Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide
Casey P Kelly, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B
|
March 4, 2009
Performance of SM6, SM8, and SMD on the SAMPL1 test set for the prediction of small-molecule solvation free energies
Aleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B
|
June 28, 2008
Performance of SM8 on a test to predict small-molecule solvation free energies
Adam C Chamberlin, Christopher J Cramer, Donald G Truhlar
Journal of Chemical Theory and Computation
|
November 22, 2015
Generalized Born Solvation Model SM12
Aleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
Journal of Chemical Theory and Computation
|
December 2, 2015
Perspective on Foundations of Solvation Modeling: The Electrostatic Contribution to the Free Energy of Solvation
Aleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. A
|
January 13, 2006
Pseudo-two-dimensional structures (HXYH)3n2H6n (XY = GaN, SiC, GeC, SiSi, or GeGe; n = 1-3): density functional characterization of structures and energetics
Bethany L Kormos, Christopher J Cramer, Wayne L Gladfelter
Journal of Chemical Theory and Computation
|
December 4, 2015
SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters
Casey P Kelly, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. A
|
August 25, 2006
Quantum chemical characterization of the vertical electron affinities of didehydroquinolinium and didehydroisoquinolinium cations
John J Nash, Hilkka I Kenttämaa, Christopher J Cramer
Page
of 28
Search research articles
Search
Showing results (51-60 of 271) with videos related to
Sort By:
Page
of 28
Journal of Computational Chemistry
|
December 17, 2002
Fast approximate methods for calculating nucleic acid base pair interaction energies
Edward C Sherer, Darrin M York, Christopher J Cramer
The Journal of Physical Chemistry. B
|
February 20, 2008
Extension of a temperature-dependent aqueous solvation model to compounds containing nitrogen, fluorine, chlorine, bromine, and sulfur
Adam C Chamberlin, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B
|
January 12, 2007
Single-ion solvation free energies and the normal hydrogen electrode potential in methanol, acetonitrile, and dimethyl sulfoxide
Casey P Kelly, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B
|
March 4, 2009
Performance of SM6, SM8, and SMD on the SAMPL1 test set for the prediction of small-molecule solvation free energies
Aleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. B
|
June 28, 2008
Performance of SM8 on a test to predict small-molecule solvation free energies
Adam C Chamberlin, Christopher J Cramer, Donald G Truhlar
Journal of Chemical Theory and Computation
|
November 22, 2015
Generalized Born Solvation Model SM12
Aleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
Journal of Chemical Theory and Computation
|
December 2, 2015
Perspective on Foundations of Solvation Modeling: The Electrostatic Contribution to the Free Energy of Solvation
Aleksandr V Marenich, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. A
|
January 13, 2006
Pseudo-two-dimensional structures (HXYH)3n2H6n (XY = GaN, SiC, GeC, SiSi, or GeGe; n = 1-3): density functional characterization of structures and energetics
Bethany L Kormos, Christopher J Cramer, Wayne L Gladfelter
Journal of Chemical Theory and Computation
|
December 4, 2015
SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters
Casey P Kelly, Christopher J Cramer, Donald G Truhlar
The Journal of Physical Chemistry. A
|
August 25, 2006
Quantum chemical characterization of the vertical electron affinities of didehydroquinolinium and didehydroisoquinolinium cations
John J Nash, Hilkka I Kenttämaa, Christopher J Cramer
Page
of 28