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显示项目 21-34 / 34 (共1页)
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机构 日期 题名 作者
臺大學術典藏 2018-09-10T09:42:45Z Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections 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 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 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 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 Lin, You-Sheng; Tsai, Chen-Wei; Li, Guan-De; Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T09:16:45Z Density functional theory with fractional orbital occupations Chai, Jeng-Da; JENG-DA CHAI
臺大學術典藏 2018-09-10T08:33:56Z The quantified NTO analysis for the electronic excitations of molecular many-body systems Li, Jian-Hao;Chai, Jeng-Da;Guo, Guang-Yu;Hayashi, Michitoshi; Li, Jian-Hao; Chai, Jeng-Da; Guo, Guang-Yu; Hayashi, Michitoshi; GUANG-YU GUO; JENG-DA CHAI
臺大學術典藏 2018-09-10T07:26:14Z The exchange energy of a uniform electron gas experiencing a new, flexible range separation Parkhill, JA;Chai, JD;Dutoi, AD;Head-Gordon, M; Parkhill, JA; Chai, JD; Dutoi, AD; Head-Gordon, M; JENG-DA CHAI
臺大學術典藏 2018-09-10T07:26:14Z Long-range corrected double-hybrid density functionals Chai, JD; Head-Gordon, M; JENG-DA CHAI
臺大學術典藏 2018-09-10T06:54:12Z Systematic optimization of long-range corrected hybrid density functionals Chai, Jeng-Da; Head-Gordon, Martin; JENG-DA CHAI
臺大學術典藏 2018-09-10T06:54:12Z Semiempirical double-hybrid density functional with improved description of long-range correlation Benighaus, T; DiStasio, RA; Lochan, RC; Chai, JD; Head-Gordon, M; JENG-DA CHAI
臺大學術典藏 2018-09-10T06:54:12Z Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections Chai, JD; Head-Gordon, M; JENG-DA CHAI
臺大學術典藏 2018-09-10T03:43:32Z Simple model for the variation of superfluid density with Zn concentration in YBa2Cu3O7-delta Chai, JD;Barabash, SV;Stroud, D; Chai, JD; Barabash, SV; Stroud, D; JENG-DA CHAI
國立臺灣大學 2013-01 Impact of Metal and Anion Substitutions on the Hydrogen Storage Properties of M-BTT Metal–Organic Frameworks Kenji Sumida; David Stuck; Lorenzo Mino; Jeng-Da Chai; Eric D. Bloch; Olena Zavorotynska; Leslie J. Murray; Mircea Dinca; Sachin Chavan; Silvia Bordiga; Martin Head-Gordon; Jeffrey R. Long

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