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Showing items 16-25 of 34 (4 Page(s) Totally)
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| 臺大學術典藏 |
2018-09-10T15:33:07Z |
Role of Kekule and Non-Kekule Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study
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Yeh, Chia-Nan;Chai, Jeng-Da; Yeh, Chia-Nan; Chai, Jeng-Da; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T15:32:07Z |
SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters
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Hui, Kerwin;Chai, Jeng-Da; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T15:32:07Z |
The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
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Chen, Yu-Ting;Hui, Kerwin;Chai, Jeng-Da; Chen, Yu-Ting; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T14:52:53Z |
Thermally-assisted-occupation density functional theory with generalized-gradient approximations
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Chai, Jeng-Da; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T09:42:45Z |
Restoration of the Derivative Discontinuity in Kohn-Sham Density Functional Theory: An Efficient Scheme for Energy Gap Correction
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Chai, Jeng-Da; Chen, Po-Ta; Chai, Jeng-Da; Chen, Po-Ta; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T09:42:45Z |
Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections
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Lin, You-Sheng; Li, Guan-De; Mao, Shan-Ping; Chai, Jeng-Da; Lin, You-Sheng; Li, Guan-De; Mao, Shan-Ping; Chai, Jeng-Da; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T09:42:45Z |
Impact of Metal and Anion Substitutions on the Hydrogen Storage Properties of M-BTT Metal-Organic Frameworks
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Stueck, David; Mino, Lorenzo; Chai, Jeng-Da; Bloch, Eric D.; Zavorotynska, Olena; Murray, Leslie J.; Dinca, Mircea; Chavan, Sachin; Bordiga, Silvia; Head-Gordon, Martin; Long, Jeffrey R.; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T09:16:45Z |
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
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Li, Jian-Hao; Chai, Jeng-Da; Guo, Guang-Yu; Hayashi, Michitoshi; GUANG-YU GUO; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T09:16:45Z |
Seeking for reliable double-hybrid density functionals without fitting parameters: The PBE0-2 functional
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Chai, Jeng-Da; Mao, Shan-Ping; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T09:16:45Z |
Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections
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Lin, You-Sheng; Tsai, Chen-Wei; Li, Guan-De; Chai, Jeng-Da; JENG-DA CHAI |
Showing items 16-25 of 34 (4 Page(s) Totally)
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