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Physical Chemistry Chemical Physics : PCCP
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January 8, 2016
The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
Yu-Ting Chen, Kerwin Hui, Jeng-Da Chai
Journal of Computational Chemistry
|
September 26, 2018
Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps
Talapunur Vikramaditya, Jeng-Da Chai, Shiang-Tai Lin
Scientific Reports
|
November 18, 2016
Electronic Properties of Cyclacenes from TAO-DFT
Chun-Shian Wu, Pei-Yin Lee, Jeng-Da Chai
RSC Advances
|
May 13, 2022
Electronic properties of the coronene series from thermally-assisted-occupation density functional theory
Chia-Nan Yeh, Can Wu, Haibin Su, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 30, 2012
Significant role of the DNA backbone in mediating the transition origin of electronic excitations of B-DNA--implication from long range corrected TDDFT and quantified NTO analysis
Jian-Hao Li, Jeng-Da Chai, Guang-Yu Guo, et al.
The Journal of Chemical Physics
|
April 24, 2012
Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections
You-Sheng Lin, Chen-Wei Tsai, Guan-De Li, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
You-Sheng Lin, Guan-De Li, Shan-Ping Mao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 27, 2013
Assessment of density functional methods with correct asymptotic behavior
Chen-Wei Tsai, Yu-Chuan Su, Guan-De Li, et al.
The Journal of Chemical Physics
|
September 3, 2020
Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation
Shu-Hao Yeh, Aaditya Manjanath, Yuan-Chung Cheng, et al.
The Journal of Physical Chemistry. A
|
March 6, 2008
Semiempirical double-hybrid density functional with improved description of long-range correlation
Tobias Benighaus, Robert A DiStasio, Rohini C Lochan, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 45) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
January 8, 2016
The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
Yu-Ting Chen, Kerwin Hui, Jeng-Da Chai
Journal of Computational Chemistry
|
September 26, 2018
Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps
Talapunur Vikramaditya, Jeng-Da Chai, Shiang-Tai Lin
Scientific Reports
|
November 18, 2016
Electronic Properties of Cyclacenes from TAO-DFT
Chun-Shian Wu, Pei-Yin Lee, Jeng-Da Chai
RSC Advances
|
May 13, 2022
Electronic properties of the coronene series from thermally-assisted-occupation density functional theory
Chia-Nan Yeh, Can Wu, Haibin Su, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 30, 2012
Significant role of the DNA backbone in mediating the transition origin of electronic excitations of B-DNA--implication from long range corrected TDDFT and quantified NTO analysis
Jian-Hao Li, Jeng-Da Chai, Guang-Yu Guo, et al.
The Journal of Chemical Physics
|
April 24, 2012
Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections
You-Sheng Lin, Chen-Wei Tsai, Guan-De Li, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
You-Sheng Lin, Guan-De Li, Shan-Ping Mao, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 27, 2013
Assessment of density functional methods with correct asymptotic behavior
Chen-Wei Tsai, Yu-Chuan Su, Guan-De Li, et al.
The Journal of Chemical Physics
|
September 3, 2020
Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation
Shu-Hao Yeh, Aaditya Manjanath, Yuan-Chung Cheng, et al.
The Journal of Physical Chemistry. A
|
March 6, 2008
Semiempirical double-hybrid density functional with improved description of long-range correlation
Tobias Benighaus, Robert A DiStasio, Rohini C Lochan, et al.
Page
of 5