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Journal of Computational Chemistry
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December 23, 2006
A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 method
Zi-Zhang Wei, Bu-Tong Li, Hong-Xing Zhang, et al.
The Journal of Chemical Physics
|
April 7, 2007
Spin-orbit effect in the energy pooling reaction O2(a 1Delta)+O2(a 1Delta)-->O2(b 1Sigma)+O2(X 3Sigma)
Rui-Feng Lu, Pei-Yu Zhang, Tian-Shu Chu, et al.
The Journal of Chemical Physics
|
March 12, 2008
Full six-dimensional nonadiabatic quantum dynamics calculation for the energy pooling reaction O(2)(a (1)Delta)+O(2)(a (1)Delta)-->O(2)(b (1)Sigma)+O(2)(X (3)Sigma)
Pei-Yu Zhang, Rui-Feng Lu, Ai-Jie Zhang, et al.
Journal of the American Chemical Society
|
April 9, 2013
Photophysical properties of self-assembled multinuclear platinum metallacycles with different conformational geometries
Jun-Sheng Chen, Guang-Jiu Zhao, Timothy R Cook, et al.
The Journal of Chemical Physics
|
November 28, 2012
Quantum dynamical study of the electronic nonadiabaticity in the D + DBr → Br(Br*) + D2 reaction on new diabatic potential energy surfaces
Ai-Jie Zhang, Pei-Yu Zhang, Tian-Shu Chu, et al.
Journal of Computational Chemistry
|
January 19, 2010
TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride: excited-state proton transfer
Guang-Yue Li, Guang-Jiu Zhao, Yu-Hui Liu, et al.
The Journal of Chemical Physics
|
April 17, 2009
Nonadiabatic effects in the H + H2 exchange reaction: accurate quantum dynamics calculations at a state-to-state level
Tian-Shu Chu, Ke-Li Han, Marlies Hankel, et al.
Nature Protocols
|
March 27, 2015
Quantitative prediction of charge mobilities of π-stacked systems by first-principles simulation
Wei-Qiao Deng, Lei Sun, Jin-Dou Huang, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2009
Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states
Shuo Chai, Guang-Jiu Zhao, Peng Song, et al.
The Journal of Physical Chemistry. B
|
June 26, 2009
First-principles investigation of anistropic hole mobilities in organic semiconductors
Shu-Hao Wen, An Li, Junling Song, et al.
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Search research articles
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Showing results (71-80 of 112) with videos related to
Sort By:
Page
of 12
Journal of Computational Chemistry
|
December 23, 2006
A theoretical investigation of the excited states of OCLO radical, cation, and anion using the CASSCF/CASPT2 method
Zi-Zhang Wei, Bu-Tong Li, Hong-Xing Zhang, et al.
The Journal of Chemical Physics
|
April 7, 2007
Spin-orbit effect in the energy pooling reaction O2(a 1Delta)+O2(a 1Delta)-->O2(b 1Sigma)+O2(X 3Sigma)
Rui-Feng Lu, Pei-Yu Zhang, Tian-Shu Chu, et al.
The Journal of Chemical Physics
|
March 12, 2008
Full six-dimensional nonadiabatic quantum dynamics calculation for the energy pooling reaction O(2)(a (1)Delta)+O(2)(a (1)Delta)-->O(2)(b (1)Sigma)+O(2)(X (3)Sigma)
Pei-Yu Zhang, Rui-Feng Lu, Ai-Jie Zhang, et al.
Journal of the American Chemical Society
|
April 9, 2013
Photophysical properties of self-assembled multinuclear platinum metallacycles with different conformational geometries
Jun-Sheng Chen, Guang-Jiu Zhao, Timothy R Cook, et al.
The Journal of Chemical Physics
|
November 28, 2012
Quantum dynamical study of the electronic nonadiabaticity in the D + DBr → Br(Br*) + D2 reaction on new diabatic potential energy surfaces
Ai-Jie Zhang, Pei-Yu Zhang, Tian-Shu Chu, et al.
Journal of Computational Chemistry
|
January 19, 2010
TD-DFT study on the sensing mechanism of a fluorescent chemosensor for fluoride: excited-state proton transfer
Guang-Yue Li, Guang-Jiu Zhao, Yu-Hui Liu, et al.
The Journal of Chemical Physics
|
April 17, 2009
Nonadiabatic effects in the H + H2 exchange reaction: accurate quantum dynamics calculations at a state-to-state level
Tian-Shu Chu, Ke-Li Han, Marlies Hankel, et al.
Nature Protocols
|
March 27, 2015
Quantitative prediction of charge mobilities of π-stacked systems by first-principles simulation
Wei-Qiao Deng, Lei Sun, Jin-Dou Huang, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 22, 2009
Reconsideration of the excited-state double proton transfer (ESDPT) in 2-aminopyridine/acid systems: role of the intermolecular hydrogen bonding in excited states
Shuo Chai, Guang-Jiu Zhao, Peng Song, et al.
The Journal of Physical Chemistry. B
|
June 26, 2009
First-principles investigation of anistropic hole mobilities in organic semiconductors
Shu-Hao Wen, An Li, Junling Song, et al.
Page
of 12