Showing results (1-10 of 70) with videos related to
Sort By:
Pageof 7
Nanomaterials (Basel, Switzerland)|November 26, 2022
Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFTChi-Chun Chen, Jeng-Da ChaiThe Journal of Chemical Physics|April 24, 2012
Density functional theory with fractional orbital occupationsJeng-Da ChaiThe Journal of Chemical Physics|February 3, 2017
Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemesJeng-Da ChaiThe Journal of Chemical Physics|May 17, 2014
Thermally-assisted-occupation density functional theory with generalized-gradient approximationsJeng-Da ChaiScientific Reports|September 10, 2016
Effect of Li Adsorption on the Electronic and Hydrogen Storage Properties of Acenes: A Dispersion-Corrected TAO-DFT StudySonai Seenithurai, Jeng-Da ChaiFrontiers in Chemistry|November 30, 2020
TAO-DFT-Based <i>Ab Initio</i> Molecular DynamicsShaozhi Li, Jeng-Da ChaiScientific Reports|September 12, 2018
Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFTSonai Seenithurai, Jeng-Da ChaiJournal of Chemical Theory and Computation|September 29, 2025
Optimization of B97-Type Density Functional Approximation, Global Hybrid, and Range-Separated Hybrid Energy Functionals with the D4 Dispersion Corrections in TAO-DFTShaozhi Li, Jeng-Da ChaiNanomaterials (Basel, Switzerland)|September 28, 2021
Electronic Properties of Carbon Nanobelts Predicted by Thermally-Assisted-Occupation DFTSonai Seenithurai, Jeng-Da ChaiMolecules (Basel, Switzerland)|January 23, 2024
Electronic Properties of Graphene Nano-Parallelograms: A Thermally Assisted Occupation DFT Computational StudySonai Seenithurai, Jeng-Da ChaiPageof 7