公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
2021 | Growth and characterization of crystalline BaSnO3 perovskite nanostructures and the influence of heavy Mn doping on its properties | Ishtihadah Islam; Shakeel Ahmad Khandy; M. Burhanuz Zaman; Aurangzeb K. Hafiz; Azher M. Siddiqui; JENG-DA CHAI | Journal of Alloys and Compounds | | | |
2013 | Impact of Metal and Anion Substitutions on the Hydrogen Storage Properties of M-BTT Metal-Organic Frameworks | JENG-DA CHAI | Journal of the American Chemical Society | 127 | 121 | |
2018 | Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps | Vikramaditya, T.; Chai, J.-D.; JENG-DA CHAI ; SHIANG-TAI LIN | Journal of Computational Chemistry | 10 | 10 | |
- | Integrated Financial Supervision-Lessons of Northern European Experience | 魏明德; 陳敘蓉; 王振吉; 蔡政達 | | | | |
2019 | Local Density Approximation for the Short-Range Exchange Free Energy Functional | Xuan, F.; Chai, J.-D.; JENG-DA CHAI | ACS Omega | 13 | 11 | |
2009 | Long-range corrected double-hybrid density functionals | JENG-DA CHAI ; Head-Gordon, M | Journal of Chemical Physics | 307 | 299 | |
2008 | Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections | JENG-DA CHAI ; Head-Gordon, M | Physical Chemistry Chemical Physics | | 9626 | |
2013 | Long-Range Corrected Hybrid Density Functionals with Improved Dispersion Corrections | Lin, You-Sheng; Li, Guan-De; Mao, Shan-Ping; JENG-DA CHAI | Journal of Chemical Theory and Computation | | 475 | |
2012 | Long-range corrected hybrid meta-generalized-gradient approximations with dispersion corrections | Lin, You-Sheng; Tsai, Chen-Wei; Li, Guan-De; JENG-DA CHAI | Journal of Chemical Physics | | 96 | |
2004 | Modified statistical treatment of kinetic energy in the Thomas-Fermi model | JENG-DA CHAI | Journal of Physical Chemistry B | 30 | 25 | |
2019 | Novel half-metallic L21 structured full-Heusler compound for promising spintronic applications: A DFT-based computer simulation | Shakeel Ahmad Khandy; JENG-DA CHAI | Journal of Magnetism and Magnetic Materials | | | |
2008 | Optimal operators for Hartree-Fock exchange from long-range corrected hybrid density functionals | JENG-DA CHAI | Chemical Physics Letters | 68 | 64 | |
2007 | Orbital-free density functional theory: Kinetic potentials and ab initio local pseudopotentials | JENG-DA CHAI | Physical Review B | 35 | 32 | |
2009 | Orbital-free density functional theory: Linear scaling methods for kinetic potentials, and applications to solid Al and Si | JENG-DA CHAI | Chemical Physics Letters | 13 | 15 | |
2021 | Origin of pseudo gap and thermoelectric signatures of semimetallic Ru2TaGa: Structural stability from phonon dynamics, mechanical, and thermodynamic predictions | Shakeel Ahmad Khandy; JENG-DA CHAI | Journal of Physics and Chemistry of Solids | | | |
2013 | Restoration of the Derivative Discontinuity in Kohn-Sham Density Functional Theory: An Efficient Scheme for Energy Gap Correction | JENG-DA CHAI ; Chen, Po-Ta | Physical Review Letters | 45 | 45 | |
2020 | Robust stability, half-metallic ferrimagnetism and thermoelectric properties of new quaternary Heusler material: A first principles approach | Ahmad Khandy S.; JENG-DA CHAI | Journal of Magnetism and Magnetic Materials | | | |
2017 | Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes | JENG-DA CHAI | The Journal of Chemical Physics | 34 | 34 | |
2016 | Role of Kekule and Non-Kekule Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study | Yeh, Chia-Nan; JENG-DA CHAI | Scientific Reports | | | |
2016 | SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters | Hui, Kerwin; JENG-DA CHAI | Journal of Chemical Physics | | | |