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Showing items 1-10 of 43 (5 Page(s) Totally)
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| 臺大學術典藏 |
2021-05-30T18:47:44Z |
Excitation Energies from Thermally Assisted-Occupation Density Functional Theory: Theory and Computational Implementation
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Yeh, Shu-Hao; Manjanath, Aaditya; Cheng, Yuan-Chung; Chai, Jeng-Da; Hsu, Chao-Ping |
| 臺大學術典藏 |
2018-09-10T18:02:56Z |
Self-consistent determination of the fictitious temperature in thermally-assisted-occupation density functional theory
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Lin, Chih-Ying; Hui, Kerwin; Chung, Jui-Hui; Chai, Jeng-Da; JENG-DA CHAI |
| 臺大學術典藏 |
2018-09-10T15:34:41Z |
Short- and long-range corrected hybrid density functionals with the D3 dispersion corrections
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Wang, Chih-Wei;Hui, Kerwin;Chai, Jeng-Da; Wang, Chih-Wei; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI |
| 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 |
Showing items 1-10 of 43 (5 Page(s) Totally)
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