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ACS Omega
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September 12, 2019
Electronic Properties of Triangle-Shaped Graphene Nanoflakes from TAO-DFT
Qing Deng, Jeng-Da Chai
Scientific Reports
|
August 22, 2019
Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory
Sonai Seenithurai, Jeng-Da Chai
Scientific Reports
|
August 6, 2020
TAO-DFT investigation of electronic properties of linear and cyclic carbon chains
Sonai Seenithurai, Jeng-Da Chai
The Journal of Chemical Physics
|
February 1, 2016
SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters
Kerwin Hui, Jeng-Da Chai
Scientific Reports
|
July 12, 2017
Effect of Li Termination on the Electronic and Hydrogen Storage Properties of Linear Carbon Chains: A TAO-DFT Study
Sonai Seenithurai, Jeng-Da Chai
Physical Chemistry Chemical Physics : PCCP
|
September 5, 2014
Assessment of asymptotically corrected model potentials for charge-transfer-like excitations in oligoacenes
Wei-Tao Peng, Jeng-Da Chai
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2008
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai, Martin Head-Gordon
RSC Advances
|
April 28, 2022
TAO-DFT fictitious temperature made simple
Bo-Jyun Chen, Jeng-Da Chai
Physical Review Letters
|
February 5, 2013
Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correction
Jeng-Da Chai, Po-Ta Chen
Journal of Chemical Theory and Computation
|
February 20, 2016
Electronic Properties of Zigzag Graphene Nanoribbons Studied by TAO-DFT
Chun-Shian Wu, Jeng-Da Chai
Page
of 5
Search research articles
Search
Showing results (11-20 of 45) with videos related to
Sort By:
Page
of 5
ACS Omega
|
September 12, 2019
Electronic Properties of Triangle-Shaped Graphene Nanoflakes from TAO-DFT
Qing Deng, Jeng-Da Chai
Scientific Reports
|
August 22, 2019
Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional Theory
Sonai Seenithurai, Jeng-Da Chai
Scientific Reports
|
August 6, 2020
TAO-DFT investigation of electronic properties of linear and cyclic carbon chains
Sonai Seenithurai, Jeng-Da Chai
The Journal of Chemical Physics
|
February 1, 2016
SCAN-based hybrid and double-hybrid density functionals from models without fitted parameters
Kerwin Hui, Jeng-Da Chai
Scientific Reports
|
July 12, 2017
Effect of Li Termination on the Electronic and Hydrogen Storage Properties of Linear Carbon Chains: A TAO-DFT Study
Sonai Seenithurai, Jeng-Da Chai
Physical Chemistry Chemical Physics : PCCP
|
September 5, 2014
Assessment of asymptotically corrected model potentials for charge-transfer-like excitations in oligoacenes
Wei-Tao Peng, Jeng-Da Chai
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2008
Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
Jeng-Da Chai, Martin Head-Gordon
RSC Advances
|
April 28, 2022
TAO-DFT fictitious temperature made simple
Bo-Jyun Chen, Jeng-Da Chai
Physical Review Letters
|
February 5, 2013
Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correction
Jeng-Da Chai, Po-Ta Chen
Journal of Chemical Theory and Computation
|
February 20, 2016
Electronic Properties of Zigzag Graphene Nanoribbons Studied by TAO-DFT
Chun-Shian Wu, Jeng-Da Chai
Page
of 5