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Nanomaterials (Basel, Switzerland)|May 27, 2023
TAO-DFT with the Polarizable Continuum ModelSonai Seenithurai, Jeng-Da ChaiACS Omega|September 12, 2019
Electronic Properties of Triangle-Shaped Graphene Nanoflakes from TAO-DFTQing Deng, Jeng-Da ChaiScientific Reports|August 22, 2019
Electronic Properties of Linear and Cyclic Boron Nanoribbons from Thermally-Assisted-Occupation Density Functional TheorySonai Seenithurai, Jeng-Da ChaiScientific Reports|August 6, 2020
TAO-DFT investigation of electronic properties of linear and cyclic carbon chainsSonai Seenithurai, Jeng-Da ChaiThe Journal of Chemical Physics|February 1, 2016
SCAN-based hybrid and double-hybrid density functionals from models without fitted parametersKerwin Hui, Jeng-Da ChaiScientific Reports|July 12, 2017
Effect of Li Termination on the Electronic and Hydrogen Storage Properties of Linear Carbon Chains: A TAO-DFT StudySonai Seenithurai, Jeng-Da ChaiPhysical Chemistry Chemical Physics : PCCP|September 5, 2014
Assessment of asymptotically corrected model potentials for charge-transfer-like excitations in oligoacenesWei-Tao Peng, Jeng-Da ChaiPhysical Chemistry Chemical Physics : PCCP|November 8, 2008
Long-range corrected hybrid density functionals with damped atom-atom dispersion correctionsJeng-Da Chai, Martin Head-GordonPhysical Review Letters|February 5, 2013
Restoration of the derivative discontinuity in Kohn-Sham density functional theory: an efficient scheme for energy gap correctionJeng-Da Chai, Po-Ta ChenPageof 7