公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
2012 | 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, J. H.; Chai, J. D.; Guo, G. Y.; GUANG-YU GUO ; JENG-DA CHAI | Physical Chemistry Chemical Physics | 7 | 6 | |
2001 | Simple model for the variation of superfluid density with Zn concentration in YBa2Cu3O7-delta | JENG-DA CHAI ; Barabash, SV; Stroud, D | Physica C-Superconductivity and Its Applications | | | |
2001 | Simple model for the variation of superfluid density with Zn concentration in YBa<inf>2</inf>Cu<inf>3</inf>O<inf>7-δ</inf> | JENG-DA CHAI ; Barabash, S.V.; Stroud, D. | Physica C: Superconductivity and its Applications | | | |
2021 | Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package | YI-PEI LI ; JENG-DA CHAI | Journal of Chemical Physics | 502 | 404 | |
2021 | Strain engineering of electronic structure, phonon, and thermoelectric properties of p-type half-Heusler semiconductor | Khandy S.A., Chai J.-D.; JENG-DA CHAI | Journal of Alloys and Compounds | 39 | 39 | |
2021 | Synthesis, characterization, antimicrobial, BSA binding, DFT calculation, molecular docking and cytotoxicity of Ni(II) complexes with Schiff base ligands | Rani J.J., Jayaseeli A.M.I., Rajagopal S., Seenithurai S., Chai J.-D., Raja J.D., Rajasekaran R.; JENG-DA CHAI | Journal of Molecular Liquids | 18 | 17 | |
2008 | Systematic optimization of long-range corrected hybrid density functionals | JENG-DA CHAI ; Head-Gordon, Martin | Journal of Chemical Physics | 2816 | 2809 | |
2022 | TAO-DFT fictitious temperature made simple | Chen, Bo-Jyun; JENG-DA CHAI | RSC advances | 7 | 7 | |
2020 | TAO-DFT investigation of electronic properties of linear and cyclic carbon chains | Seenithurai S., Chai J.-D.; JENG-DA CHAI | Scientific Reports | 22 | 23 | |
2020 | TAO-DFT study on the electronic properties of diamond-shaped graphene nanoflakes | Huang H.-J., Seenithurai S., Chai J.-D.; JENG-DA CHAI | Nanomaterials | 12 | 10 | |
2023 | TAO-DFT with the Polarizable Continuum Model | Seenithurai, Sonai; JENG-DA CHAI | Nanomaterials (Basel, Switzerland) | 3 | 0 | |
2020 | TAO-DFT-Based Ab Initio Molecular Dynamics | Li S., Chai J.-D.; JENG-DA CHAI | Frontiers in Chemistry | 7 | 6 | |
2009 | The exchange energy of a uniform electron gas experiencing a new, flexible range separation | Parkhill, JA; JENG-DA CHAI ; Dutoi, AD; Head-Gordon, M | Chemical Physics Letters | | 9 | |
2016 | The van der Waals interactions in rare-gas dimers: the role of interparticle interactions | Chen, Yu-Ting; Hui, Kerwin; JENG-DA CHAI | Physical Chemistry Chemical Physics | | | |
2014 | Thermally-assisted-occupation density functional theory with generalized-gradient approximations | JENG-DA CHAI | Journal of Chemical Physics | | 60 | |
2020 | Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z=Si and Ge) | Khandy, Shakeel Ahmad; JENG-DA CHAI | JOURNAL OF APPLIED PHYSICS | | 83 | |
2021 | Understanding the stability concerns and electronic structure of CsYbX3 (X=Cl,Br) halidoperovskites for optoelectronic applications | Khandy S.A., Vaid S.G., Islam I., Hafiz A.K., Chai J.-D.; JENG-DA CHAI | Journal of Alloys and Compounds | 13 | 12 | |