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The Journal of Chemical Physics|August 24, 2018
Folding free energy landscapes of β-sheets with non-polarizable and polarizable CHARMM force fieldsAnthony J Hazel, Evan T Walters, Christopher N Rowley, et al.The Journal of Chemical Physics|July 23, 2004
Atomic and electronic structure of unreduced and reduced CeO2 surfaces: a first-principles studyZongxian Yang, Tom K Woo, Micael Baudin, et al.Journal of the American Chemical Society|October 31, 2002
Mechanism of the addition of nonenolizable aldehydes and ketones to (Di)metallenes (R(2)X=YR(2), X = Si, Ge Y = C, Si, Ge): a density functional and multiconfigurational perturbation theory studyNicholas J Mosey, Kim M Baines, Tom K WooJournal of Chemical Information and Modeling|December 23, 2024
Incorporation of Ligand Charge and Metal Oxidation State Considerations into the Computational Solvent Removal and Activation of Experimental Crystal Structures Preceding Molecular SimulationMarco Gibaldi, Anna Kapeliukha, Andrew White, et al.The Journal of Chemical Physics|October 22, 2022
Molecular dynamics simulations of interfacial structure, dynamics, and interfacial tension of tetrabutylammonium bromide aqueous solution in the presence of methane and carbon dioxideParisa Naeiji, Tom K Woo, Ryo Ohmura, et al.Science (New York, N.Y.)|March 12, 2005
Molecular mechanisms for the functionality of lubricant additivesNicholas J Mosey, Martin H Müser, Tom K WooThe Journal of Chemical Physics|August 6, 2020
Molecular dynamics simulations of interfacial properties of the CO2-water and CO2-CH4-water systemsParisa Naeiji, Tom K Woo, Saman Alavi, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|October 29, 2011
Mechanistic analysis of iridium(III) catalyzed direct C-H arylations: a DFT studyMax García-Melchor, Serge I Gorelsky, Tom K WooAdvanced Materials (Deerfield Beach, Fla.)|July 26, 2023
The Challenge of Water Competition in Physical Adsorption of CO2 by Porous Solids for Carbon Capture Applications - A Short PerspectiveArvind Rajendran, George K H Shimizu, Tom K WooThe Journal of Physical Chemistry. B|November 21, 2025
Long-Range Interactions in High-Dimensional Neural Network Potentials: A Benchmark Study for Small Organic MoleculesNguyen Thien Phuc Tu, Alexander L M Knoll, Jörg Behler, et al.Pageof 12