Showing results (1-10 of 159) with videos related to
Sort By:
Pageof 16
Physical Chemistry Chemical Physics : PCCP|July 14, 2017
Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculationsWei-Lin Chen, Shiang-Tai LinJournal 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 theoryTalapunur Vikramaditya, Shiang-Tai LinPhysical Chemistry Chemical Physics : PCCP|February 17, 2026
Thermodynamic origins of the interfacial-bulk solubility trade-off for CO2 in ionic liquids: a molecular dynamics simulation studySanchari Bhattacharjee, Shiang-Tai LinJournal 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 ExchangeTalapunur Vikramaditya, Shiang-Tai LinJournal of Chemical Information and Modeling|September 22, 2025
Physics-Embedded Machine Learning Model for Phase Equilibrium Prediction in Multicomponent SystemsYue Yang, Shiang-Tai LinJournal of Computational Chemistry|January 8, 2015
Internal coordinate density of state from molecular dynamics simulationPin-Kuang Lai, Shiang-Tai LinJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 13, 2011
Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulationsMin-Kang Hsieh, Shiang-Tai LinPhysical Chemistry Chemical Physics : PCCP|March 30, 2012
The role of long-range interactions in the phase behavior of ionic liquidsBong-Seop Lee, Shiang-Tai LinJournal 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 StructuresChen-Hsuan Huang, Shiang-Tai LinJournal of Chemical Theory and Computation|November 14, 2025
TRACE: A Topological Algorithm for Detecting Additive-Coordinated Hydrate CagesJun-Wei Hsu, Shiang-Tai LinPageof 16