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Institution Date Title Author
臺大學術典藏 2022-05-21T23:36:19Z TAO-DFT fictitious temperature made simple Chen, Bo Jyun; JENG-DA CHAI
臺大學術典藏 2022-04-25T06:29:53Z Electronic properties of carbon nanobelts predicted by thermally-assisted-occupation dft Seenithurai S;Chai J.-D.; Seenithurai S; Chai J.-D.; JENG-DA CHAI
臺大學術典藏 2021-09-21T23:19:57Z Electronic properties of carbon nanobelts predicted by thermally-assisted-occupation dft Seenithurai, Sonai; JENG-DA CHAI
臺大學術典藏 2021-04-21T23:30:16Z Origin of pseudo gap and thermoelectric signatures of semimetallic Ru2TaGa: Structural stability from phonon dynamics, mechanical, and thermodynamic predictions Khandy, Shakeel Ahmad; JENG-DA CHAI
臺大學術典藏 2021-03-03T05:34:08Z Growth and characterization of crystalline BaSnO3 perovskite nanostructures and the influence of heavy Mn doping on its properties Islam, Ishtihadah; Khandy, Shakeel Ahmad; Zaman, M. Burhanuz; Hafiz, Aurangzeb K.; Siddiqui, Azher M.; JENG-DA CHAI
臺大學術典藏 2021-03-03T05:34:08Z Synthesis, characterization, antimicrobial, BSA binding, DFT calculation, molecular docking and cytotoxicity of Ni(II) complexes with Schiff base ligands Rani, J. Jeevitha; Jayaseeli, A. Mary Imelda; Rajagopal, S.; Seenithurai, S.; JENG-DA CHAI; Raja, J. Dhaveethu; Rajasekaran, R.
臺大學術典藏 2021-01-27T07:50:03Z Excitation energies from thermally assisted-occupation density functional theory: Theory and computational implementation Yeh, S.-H.;Manjanath, A.;Cheng, Y.-C.;Chai, J.-D.;Hsu, C.-P.; Yeh, S.-H.; Manjanath, A.; Cheng, Y.-C.; Chai, J.-D.; Hsu, C.-P.; YUAN-CHUNG CHENG; JENG-DA CHAI
臺大學術典藏 2019-12-20T01:18:45Z Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFT Seenithurai, S.;Chai, J.-D.; Seenithurai, S.; Chai, J.-D.; JENG-DA CHAI
臺大學術典藏 2019-12-20T01:18:45Z Electronic properties of the coronene series from thermally-assisted-occupation density functional theory Yeh, C.-N.;Wu, C.;Su, H.;Chai, J.-D.; Yeh, C.-N.; Wu, C.; Su, H.; Chai, J.-D.; JENG-DA CHAI
臺大學術典藏 2019-12-20T01:18:45Z Simple model for the variation of superfluid density with Zn concentration in YBa2Cu3O7-δ Chai, J.-D.;Barabash, S.V.;Stroud, D.; Chai, J.-D.; Barabash, S.V.; Stroud, D.; JENG-DA CHAI

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