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Journal of Chemical Theory and Computation
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December 8, 2015
Neural Network Models of Potential Energy Surfaces: Prototypical Examples
James B Witkoskie, Douglas J Doren
The Journal of Physical Chemistry. B
|
May 22, 2008
Sodium chloride in supercritical water as a function of density: potentials of mean force and an equation for the dissociation constant from 723 to 1073 K and from 0 to 0.9 g/cm(3)
Wenbin Liu, Robert H Wood, Douglas J Doren
The Journal of Physical Chemistry. A
|
September 3, 2015
DFT Study of Solvent Effects in Acid-Catalyzed Diels-Alder Cycloadditions of 2,5-Dimethylfuran and Maleic Anhydride
Taha Salavati-fard, Stavros Caratzoulas, Douglas J Doren
Physical Chemistry Chemical Physics : PCCP
|
September 20, 2007
A visible light photocatalyst: effects of vanadium substitution on ETS-10
Anne Marie Shough, Raul F Lobo, Douglas J Doren
The Journal of Physical Chemistry. A
|
June 26, 2014
Formation and growth of molecular clusters containing sulfuric acid, water, ammonia, and dimethylamine
Joseph W DePalma, Douglas J Doren, Murray V Johnston
The Journal of Physical Chemistry. B
|
May 5, 2006
Electronic and geometric properties of ETS-10: QM/MM studies of cluster models
Anne Marie Zimmerman, Douglas J Doren, Raul F Lobo
The Journal of Physical Chemistry. A
|
October 1, 2008
Polyfunctional methodology for improved DFT thermochemical predictions
Anne Marie Shough, Douglas J Doren, Dominic M Di Toro
Chemsuschem
|
June 15, 2010
A spinel oxynitride with visible-light photocatalytic activity
Venkata Bharat Ram Boppana, Douglas J Doren, Raul F Lobo
The Journal of Physical Chemistry. B
|
October 7, 2008
Structure of an accurate ab initio model of the aqueous Na+ ion at high temperatures
Haitao Dong, Wenbin Liu, Douglas J Doren, et al.
The Journal of Chemical Physics
|
July 21, 2004
Free energy perturbation study of water dimer dissociation kinetics
Yi Ming, Geeling Lai, Chinghang Tong, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
December 8, 2015
Neural Network Models of Potential Energy Surfaces: Prototypical Examples
James B Witkoskie, Douglas J Doren
The Journal of Physical Chemistry. B
|
May 22, 2008
Sodium chloride in supercritical water as a function of density: potentials of mean force and an equation for the dissociation constant from 723 to 1073 K and from 0 to 0.9 g/cm(3)
Wenbin Liu, Robert H Wood, Douglas J Doren
The Journal of Physical Chemistry. A
|
September 3, 2015
DFT Study of Solvent Effects in Acid-Catalyzed Diels-Alder Cycloadditions of 2,5-Dimethylfuran and Maleic Anhydride
Taha Salavati-fard, Stavros Caratzoulas, Douglas J Doren
Physical Chemistry Chemical Physics : PCCP
|
September 20, 2007
A visible light photocatalyst: effects of vanadium substitution on ETS-10
Anne Marie Shough, Raul F Lobo, Douglas J Doren
The Journal of Physical Chemistry. A
|
June 26, 2014
Formation and growth of molecular clusters containing sulfuric acid, water, ammonia, and dimethylamine
Joseph W DePalma, Douglas J Doren, Murray V Johnston
The Journal of Physical Chemistry. B
|
May 5, 2006
Electronic and geometric properties of ETS-10: QM/MM studies of cluster models
Anne Marie Zimmerman, Douglas J Doren, Raul F Lobo
The Journal of Physical Chemistry. A
|
October 1, 2008
Polyfunctional methodology for improved DFT thermochemical predictions
Anne Marie Shough, Douglas J Doren, Dominic M Di Toro
Chemsuschem
|
June 15, 2010
A spinel oxynitride with visible-light photocatalytic activity
Venkata Bharat Ram Boppana, Douglas J Doren, Raul F Lobo
The Journal of Physical Chemistry. B
|
October 7, 2008
Structure of an accurate ab initio model of the aqueous Na+ ion at high temperatures
Haitao Dong, Wenbin Liu, Douglas J Doren, et al.
The Journal of Chemical Physics
|
July 21, 2004
Free energy perturbation study of water dimer dissociation kinetics
Yi Ming, Geeling Lai, Chinghang Tong, et al.
Page
of 2