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Scientific Reports
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July 27, 2016
Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study
Chia-Nan Yeh, Jeng-Da Chai
Nanomaterials (Basel, Switzerland)
|
November 26, 2022
Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT
Chi-Chun Chen, Jeng-Da Chai
Scientific Reports
|
March 1, 2019
Electronic Properties of Möbius Cyclacenes Studied by Thermally-Assisted-Occupation Density Functional Theory
Jui-Hui Chung, Jeng-Da Chai
The Journal of Chemical Physics
|
November 10, 2009
Long-range corrected double-hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
The Journal of Chemical Physics
|
March 5, 2008
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
Molecules (Basel, Switzerland)
|
September 14, 2024
Effect of Oriented External Electric Fields on the Electronic Properties of Linear Acenes: A Thermally Assisted Occupation DFT Study
Chi-Yu Chen, Jeng-Da Chai
Molecules (Basel, Switzerland)
|
November 14, 2023
Real-Time Extension of TAO-DFT
Hung-Yi Tsai, Jeng-Da Chai
ACS Omega
|
August 29, 2019
Local Density Approximation for the Short-Range Exchange Free Energy Functional
Fengyuan Xuan, Jeng-Da Chai, Haibin Su
The Journal of Chemical Physics
|
December 3, 2016
Short- and long-range corrected hybrid density functionals with the D3 dispersion corrections
Chih-Wei Wang, Kerwin Hui, Jeng-Da Chai
Nanomaterials (Basel, Switzerland)
|
July 8, 2020
TAO-DFT Study on the Electronic Properties of Diamond-Shaped Graphene Nanoflakes
Hong-Jui Huang, Sonai Seenithurai, Jeng-Da Chai
Page
of 5
Search research articles
Search
Showing results (21-30 of 45) with videos related to
Sort By:
Page
of 5
Scientific Reports
|
July 27, 2016
Role of Kekulé and Non-Kekulé Structures in the Radical Character of Alternant Polycyclic Aromatic Hydrocarbons: A TAO-DFT Study
Chia-Nan Yeh, Jeng-Da Chai
Nanomaterials (Basel, Switzerland)
|
November 26, 2022
Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT
Chi-Chun Chen, Jeng-Da Chai
Scientific Reports
|
March 1, 2019
Electronic Properties of Möbius Cyclacenes Studied by Thermally-Assisted-Occupation Density Functional Theory
Jui-Hui Chung, Jeng-Da Chai
The Journal of Chemical Physics
|
November 10, 2009
Long-range corrected double-hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
The Journal of Chemical Physics
|
March 5, 2008
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai, Martin Head-Gordon
Molecules (Basel, Switzerland)
|
September 14, 2024
Effect of Oriented External Electric Fields on the Electronic Properties of Linear Acenes: A Thermally Assisted Occupation DFT Study
Chi-Yu Chen, Jeng-Da Chai
Molecules (Basel, Switzerland)
|
November 14, 2023
Real-Time Extension of TAO-DFT
Hung-Yi Tsai, Jeng-Da Chai
ACS Omega
|
August 29, 2019
Local Density Approximation for the Short-Range Exchange Free Energy Functional
Fengyuan Xuan, Jeng-Da Chai, Haibin Su
The Journal of Chemical Physics
|
December 3, 2016
Short- and long-range corrected hybrid density functionals with the D3 dispersion corrections
Chih-Wei Wang, Kerwin Hui, Jeng-Da Chai
Nanomaterials (Basel, Switzerland)
|
July 8, 2020
TAO-DFT Study on the Electronic Properties of Diamond-Shaped Graphene Nanoflakes
Hong-Jui Huang, Sonai Seenithurai, Jeng-Da Chai
Page
of 5