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Showing results 57 to 66 of 66
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Issue Date
Title
Author(s)
Source
scopus
WOS
Fulltext/Archive link
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; Chai, JD; Dutoi, AD; Head-Gordon, M; JENG-DA CHAI
Chemical Physics Letters
9
9
2016
The van der Waals interactions in rare-gas dimers: the role of interparticle interactions
Chen, Yu-Ting; Hui, Kerwin; Chai, Jeng-Da; JENG-DA CHAI
Physical Chemistry Chemical Physics
7
7
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; Chai, Jeng-Da; JENG-DA CHAI
JOURNAL OF APPLIED PHYSICS
81
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