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The Journal of Chemical Physics
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April 12, 2011
Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application
Zhendong Li, Wenjian Liu, Yong Zhang, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
November 11, 2025
Comparative Theoretical Investigation of Al- and Mg-Doped Li<sub>2</sub>FeSiO<sub>4</sub> and its Pristine Form as Cathode Materials for Li-Ion Batteries
Qianlong Zhou, Bo Zhou, Hong-Jian Feng, et al.
The Journal of Chemical Physics
|
June 6, 2008
The potential energy curves of low-lying electronic states of S2O
Huixian Han, Bingbing Suo, Zhenyi Jiang, et al.
The Journal of Chemical Physics
|
April 15, 2025
Theoretical study on the core-excited states of the allyl using multi-reference methods with core-valence separation (CVS) approximation
Qi Song, Junfeng Wu, Wenli Zou, et al.
Journal of Computational Chemistry
|
January 21, 2010
New implementations of MRCI in semiempirical frameworks
Yibo Lei, Bingbing Suo, Yusheng Dou, et al.
The Journal of Physical Chemistry Letters
|
January 24, 2019
Unraveling the Emission Mechanism of Radical-Based Organic Light-Emitting Diodes
Chuhuan He, Zhendong Li, Yibo Lei, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2024
Enhancing carrier transfer properties of Na-rich anti-perovskites, Na<sub>4</sub>OM<sub>2</sub> with tetrahedral anion groups: an evaluation through first-principles computational analysis
Shenglin Xu, Qinfu Zhao, Ronglan Zhang, et al.
The Journal of Chemical Physics
|
March 12, 2009
Potential energy curves and interpretation of electronic spectrum of the rhodium monoxide
Bingbing Suo, Huixian Han, Yibo Lei, et al.
The Journal of Physical Chemistry. A
|
January 25, 2024
Spin-Adapted Externally Contracted Multireference Configuration Interaction Method Based on Selected Reference Configurations
Yinxuan Song, Wei Huang, Chungen Liu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2010
Electronic structure calculations of low-lying electronic states of O3
Huixian Han, Bingbing Suo, Daiqian Xie, et al.
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of 5
Search research articles
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Showing results (21-30 of 42) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
April 12, 2011
Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application
Zhendong Li, Wenjian Liu, Yong Zhang, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
November 11, 2025
Comparative Theoretical Investigation of Al- and Mg-Doped Li<sub>2</sub>FeSiO<sub>4</sub> and its Pristine Form as Cathode Materials for Li-Ion Batteries
Qianlong Zhou, Bo Zhou, Hong-Jian Feng, et al.
The Journal of Chemical Physics
|
June 6, 2008
The potential energy curves of low-lying electronic states of S2O
Huixian Han, Bingbing Suo, Zhenyi Jiang, et al.
The Journal of Chemical Physics
|
April 15, 2025
Theoretical study on the core-excited states of the allyl using multi-reference methods with core-valence separation (CVS) approximation
Qi Song, Junfeng Wu, Wenli Zou, et al.
Journal of Computational Chemistry
|
January 21, 2010
New implementations of MRCI in semiempirical frameworks
Yibo Lei, Bingbing Suo, Yusheng Dou, et al.
The Journal of Physical Chemistry Letters
|
January 24, 2019
Unraveling the Emission Mechanism of Radical-Based Organic Light-Emitting Diodes
Chuhuan He, Zhendong Li, Yibo Lei, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 18, 2024
Enhancing carrier transfer properties of Na-rich anti-perovskites, Na<sub>4</sub>OM<sub>2</sub> with tetrahedral anion groups: an evaluation through first-principles computational analysis
Shenglin Xu, Qinfu Zhao, Ronglan Zhang, et al.
The Journal of Chemical Physics
|
March 12, 2009
Potential energy curves and interpretation of electronic spectrum of the rhodium monoxide
Bingbing Suo, Huixian Han, Yibo Lei, et al.
The Journal of Physical Chemistry. A
|
January 25, 2024
Spin-Adapted Externally Contracted Multireference Configuration Interaction Method Based on Selected Reference Configurations
Yinxuan Song, Wei Huang, Chungen Liu, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 15, 2010
Electronic structure calculations of low-lying electronic states of O3
Huixian Han, Bingbing Suo, Daiqian Xie, et al.
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of 5