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Jeng-Da Chai

Showing results (1-10 of 45) with videos related to

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The Journal of Chemical Physics|April 24, 2012
Density functional theory with fractional orbital occupationsJeng-Da Chai
The 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 Chai
The Journal of Chemical Physics|May 17, 2014
Thermally-assisted-occupation density functional theory with generalized-gradient approximationsJeng-Da Chai
Scientific 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 Chai
Frontiers in Chemistry|November 30, 2020
TAO-DFT-Based <i>Ab Initio</i> Molecular DynamicsShaozhi Li, Jeng-Da Chai
Scientific Reports|September 12, 2018
Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFTSonai Seenithurai, Jeng-Da Chai
Journal 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 Chai
Nanomaterials (Basel, Switzerland)|September 28, 2021
Electronic Properties of Carbon Nanobelts Predicted by Thermally-Assisted-Occupation DFTSonai Seenithurai, Jeng-Da Chai
Molecules (Basel, Switzerland)|January 23, 2024
Electronic Properties of Graphene Nano-Parallelograms: A Thermally Assisted Occupation DFT Computational StudySonai Seenithurai, Jeng-Da Chai
Nanomaterials (Basel, Switzerland)|May 27, 2023
TAO-DFT with the Polarizable Continuum ModelSonai Seenithurai, Jeng-Da Chai
Pageof 5

Showing results (1-10 of 45) with videos related to

Sort By:
Pageof 5
The Journal of Chemical Physics|April 24, 2012
Density functional theory with fractional orbital occupationsJeng-Da Chai
The 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 Chai
The Journal of Chemical Physics|May 17, 2014
Thermally-assisted-occupation density functional theory with generalized-gradient approximationsJeng-Da Chai
Scientific 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 Chai
Frontiers in Chemistry|November 30, 2020
TAO-DFT-Based <i>Ab Initio</i> Molecular DynamicsShaozhi Li, Jeng-Da Chai
Scientific Reports|September 12, 2018
Electronic and Hydrogen Storage Properties of Li-Terminated Linear Boron Chains Studied by TAO-DFTSonai Seenithurai, Jeng-Da Chai
Journal 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 Chai
Nanomaterials (Basel, Switzerland)|September 28, 2021
Electronic Properties of Carbon Nanobelts Predicted by Thermally-Assisted-Occupation DFTSonai Seenithurai, Jeng-Da Chai
Molecules (Basel, Switzerland)|January 23, 2024
Electronic Properties of Graphene Nano-Parallelograms: A Thermally Assisted Occupation DFT Computational StudySonai Seenithurai, Jeng-Da Chai
Nanomaterials (Basel, Switzerland)|May 27, 2023
TAO-DFT with the Polarizable Continuum ModelSonai Seenithurai, Jeng-Da Chai
Pageof 5