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The Journal of Chemical Physics|August 17, 2017
Molecular dynamics simulations of fluid cyclopropane with MP2/CBS-fitted intermolecular interaction potentialsYen-Ching Ho, Yi-Siang Wang, Sheng D ChaoThe Journal of Physical Chemistry. A|February 17, 2011
Structures and energetics of neutral and ionic silicon-germanium clusters: density functional theory and coupled cluster studiesYi-Siang Wang, Sheng D ChaoThe Journal of Chemical Physics|October 10, 2014
Intermolecular interactions of trifluorohalomethanes with Lewis bases in the gas phase: an ab initio studyYi-Siang Wang, Chih-Chien Yin, Sheng D ChaoACS Omega|June 20, 2022
A Minimum Quantum Chemistry CCSD(T)/CBS Data Set of Dimeric Interaction Energies for Small Organic Functional Groups: HeterodimersHsing-Hsiang Huang, Yi-Siang Wang, Sheng D ChaoThe Journal of Chemical Physics|October 23, 2020
A minimum quantum chemistry CCSD(T)/CBS dataset of dimeric interaction energies for small organic functional groupsYu-Ming Chang, Yi-Siang Wang, Sheng D ChaoJournal of Chemical Theory and Computation|August 15, 2024
Non-negligible Outer-Shell Reorganization Energy for Charge Transfer in Nonpolar SystemsChou-Hsun Yang, Chun-I Wang, Yi-Siang Wang, et al.The Journal of Chemical Physics|July 17, 2023
Machine-learned dynamic disorder of electron transfer couplingYi-Siang Wang, Chun-I Wang, Chou-Hsun Yang, et al.Optics Express|October 15, 2008
Optimal higher-lying band gaps for photonic crystals with large dielectric contrastRuey-Lin Chern, Sheng D ChaoMolecules (Basel, Switzerland)|December 9, 2023
Intermolecular Non-Bonded Interactions from Machine Learning DatasetsJia-An Chen, Sheng D ChaoBioengineering (Basel, Switzerland)|January 22, 2024
A Machine Learning Force Field for Bio-Macromolecular Modeling Based on Quantum Chemistry-Calculated Interaction Energy DatasetsZhen-Xuan Fan, Sheng D ChaoPageof 4