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Journal of Computational Chemistry
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May 13, 2017
Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory
Talapunur Vikramaditya, Shiang-Tai Lin
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2026
Thermodynamic origins of the interfacial-bulk solubility trade-off for CO<sub>2</sub> in ionic liquids: a molecular dynamics simulation study
Sanchari Bhattacharjee, Shiang-Tai Lin
Journal of Computational Chemistry
|
August 25, 2019
Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange
Talapunur Vikramaditya, Shiang-Tai Lin
Journal of Chemical Information and Modeling
|
September 22, 2025
Physics-Embedded Machine Learning Model for Phase Equilibrium Prediction in Multicomponent Systems
Yue Yang, Shiang-Tai Lin
Journal of Computational Chemistry
|
January 8, 2015
Internal coordinate density of state from molecular dynamics simulation
Pin-Kuang Lai, Shiang-Tai Lin
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 13, 2011
Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulations
Min-Kang Hsieh, Shiang-Tai Lin
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2012
The role of long-range interactions in the phase behavior of ionic liquids
Bong-Seop Lee, Shiang-Tai Lin
Journal of Chemical Information and Modeling
|
December 15, 2023
MARS Plus: An Improved Molecular Design Tool for Complex Compounds Involving Ionic, Stereo, and Cis-Trans Isomeric Structures
Chen-Hsuan Huang, Shiang-Tai Lin
Physical Chemistry Chemical Physics : PCCP
|
July 14, 2017
Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations
Wei-Lin Chen, Shiang-Tai Lin
Journal of Chemical Theory and Computation
|
November 14, 2025
TRACE: A Topological Algorithm for Detecting Additive-Coordinated Hydrate Cages
Jun-Wei Hsu, Shiang-Tai Lin
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
Journal of Computational Chemistry
|
May 13, 2017
Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory
Talapunur Vikramaditya, Shiang-Tai Lin
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2026
Thermodynamic origins of the interfacial-bulk solubility trade-off for CO<sub>2</sub> in ionic liquids: a molecular dynamics simulation study
Sanchari Bhattacharjee, Shiang-Tai Lin
Journal of Computational Chemistry
|
August 25, 2019
Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange
Talapunur Vikramaditya, Shiang-Tai Lin
Journal of Chemical Information and Modeling
|
September 22, 2025
Physics-Embedded Machine Learning Model for Phase Equilibrium Prediction in Multicomponent Systems
Yue Yang, Shiang-Tai Lin
Journal of Computational Chemistry
|
January 8, 2015
Internal coordinate density of state from molecular dynamics simulation
Pin-Kuang Lai, Shiang-Tai Lin
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 13, 2011
Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulations
Min-Kang Hsieh, Shiang-Tai Lin
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2012
The role of long-range interactions in the phase behavior of ionic liquids
Bong-Seop Lee, Shiang-Tai Lin
Journal of Chemical Information and Modeling
|
December 15, 2023
MARS Plus: An Improved Molecular Design Tool for Complex Compounds Involving Ionic, Stereo, and Cis-Trans Isomeric Structures
Chen-Hsuan Huang, Shiang-Tai Lin
Physical Chemistry Chemical Physics : PCCP
|
July 14, 2017
Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations
Wei-Lin Chen, Shiang-Tai Lin
Journal of Chemical Theory and Computation
|
November 14, 2025
TRACE: A Topological Algorithm for Detecting Additive-Coordinated Hydrate Cages
Jun-Wei Hsu, Shiang-Tai Lin
Page
of 5