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Journal of Computational Chemistry
|
August 11, 2017
iVI: An iterative vector interaction method for large eigenvalue problems
Chao Huang, Wenjian Liu, Yunlong Xiao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2015
Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives
Jinfeng Zhao, Junsheng Chen, Jianyong Liu, et al.
The Journal of Physical Chemistry. A
|
August 2, 2014
Density differences in embedding theory with external orbital orthogonality
Patrick K Tamukong, Yuriy G Khait, Mark R Hoffmann
The Journal of Physical Chemistry. A
|
January 3, 2015
New excited-state proton transfer mechanisms for 1,8-dihydroxydibenzo[a,h]phenazine
Jinfeng Zhao, Hongbin Yao, Jianyong Liu, et al.
Journal of Computational Chemistry
|
November 23, 2017
Erratum: "iVI: An iterative vector interaction method for large eigenvalue problems" [J. Comput. Chem. 38, 2481 (2017)]
Chao Huang, Wenjian Liu, Yunlong Xiao, et al.
The Journal of Physical Chemistry. B
|
April 1, 2014
New insights into the dual fluorescence of methyl salicylate: effects of intermolecular hydrogen bonding and solvation
Panwang Zhou, Mark R Hoffmann, Keli Han, et al.
The Journal of Physical Chemistry. A
|
December 10, 2016
Accurate Dissociation of Chemical Bonds Using DFT-in-DFT Embedding Theory with External Orbital Orthogonality
Patrick K Tamukong, Yuriy G Khait, Mark R Hoffmann
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2023
Exploring the biointerfaces: <i>ab initio</i> investigation of nano-montmorillonite clay, and its interaction with unnatural amino acids
Ashan Fernando, Desmond Khan, Mark R Hoffmann, et al.
The Journal of Chemical Physics
|
May 10, 2011
Theoretical study of the photodissociation of Li(2)+ in one-color intense laser fields
Yuanjun Li, Wanyi Jiang, Yuriy G Khait, et al.
The Journal of Physical Chemistry. A
|
February 1, 2014
Relativistic GVVPT2 multireference perturbation theory description of the electronic states of Y2 and Tc2
Patrick K Tamukong, Mark R Hoffmann, Zhendong Li, et al.
Page
of 5
Search research articles
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Showing results (21-30 of 44) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
August 11, 2017
iVI: An iterative vector interaction method for large eigenvalue problems
Chao Huang, Wenjian Liu, Yunlong Xiao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 16, 2015
Competitive excited-state single or double proton transfer mechanisms for bis-2,5-(2-benzoxazolyl)-hydroquinone and its derivatives
Jinfeng Zhao, Junsheng Chen, Jianyong Liu, et al.
The Journal of Physical Chemistry. A
|
August 2, 2014
Density differences in embedding theory with external orbital orthogonality
Patrick K Tamukong, Yuriy G Khait, Mark R Hoffmann
The Journal of Physical Chemistry. A
|
January 3, 2015
New excited-state proton transfer mechanisms for 1,8-dihydroxydibenzo[a,h]phenazine
Jinfeng Zhao, Hongbin Yao, Jianyong Liu, et al.
Journal of Computational Chemistry
|
November 23, 2017
Erratum: "iVI: An iterative vector interaction method for large eigenvalue problems" [J. Comput. Chem. 38, 2481 (2017)]
Chao Huang, Wenjian Liu, Yunlong Xiao, et al.
The Journal of Physical Chemistry. B
|
April 1, 2014
New insights into the dual fluorescence of methyl salicylate: effects of intermolecular hydrogen bonding and solvation
Panwang Zhou, Mark R Hoffmann, Keli Han, et al.
The Journal of Physical Chemistry. A
|
December 10, 2016
Accurate Dissociation of Chemical Bonds Using DFT-in-DFT Embedding Theory with External Orbital Orthogonality
Patrick K Tamukong, Yuriy G Khait, Mark R Hoffmann
Physical Chemistry Chemical Physics : PCCP
|
October 26, 2023
Exploring the biointerfaces: <i>ab initio</i> investigation of nano-montmorillonite clay, and its interaction with unnatural amino acids
Ashan Fernando, Desmond Khan, Mark R Hoffmann, et al.
The Journal of Chemical Physics
|
May 10, 2011
Theoretical study of the photodissociation of Li(2)+ in one-color intense laser fields
Yuanjun Li, Wanyi Jiang, Yuriy G Khait, et al.
The Journal of Physical Chemistry. A
|
February 1, 2014
Relativistic GVVPT2 multireference perturbation theory description of the electronic states of Y2 and Tc2
Patrick K Tamukong, Mark R Hoffmann, Zhendong Li, et al.
Page
of 5