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The Journal of Chemical Physics|November 17, 2014
Evaluation of the constant potential method in simulating electric double-layer capacitorsZhenxing Wang, Yang Yang, David L Olmsted, et al.
The Journal of Physical Chemistry. B|March 9, 2019
Pressure and Temperature Tuning of Gas-Expanded Liquid Structure and DynamicsJ Pablo Palafox-Hernandez, Camina H Mendis, Ward H Thompson, et al.
The Journal of Chemical Physics|August 27, 2024
A quantitative theory and atomistic simulation study on the soft-sphere crystal-melt interfacial properties. I. Kinetic coefficientsYa-Shen Wang, Xin Zhang, Zun Liang, et al.
Physical Review Letters|July 30, 2011
Atomistic simulations of nonequilibrium crystal-growth kinetics from alloy meltsYang Yang, Harith Humadi, Dorel Buta, et al.
Chemical Communications (Cambridge, England)|August 30, 2008
Multiple weak supramolecular interactions stabilize a surprisingly twisted As2L3 assemblyMelanie A Pitt, Lev N Zakharov, Kumar Vanka, et al.
Physical Review Letters|June 10, 2024
Intrinsic Stress Field for Liquid SurfacesZi-Feng Yuan, Brian B Laird, Cheng-Jie Xia, et al.
The Journal of Chemical Physics|October 8, 2022
Atomistic characterization of the SiO2 high-density liquid/low-density liquid interfaceXin Zhang, Brian B Laird, Hongtao Liang, et al.
The Journal of Chemical Physics|September 1, 2022
Local collective dynamics at equilibrium BCC crystal-melt interfacesXin Zhang, Wenliang Lu, Zun Liang, et al.
Journal of the American Chemical Society|August 12, 2010
A combined experimental-computational investigation of carbon dioxide capture in a series of isoreticular zeolitic imidazolate frameworksWilliam Morris, Belinda Leung, Hiroyasu Furukawa, et al.
Chemical Reviews|May 12, 2025
Solid-Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent AdvancesNicodemo Di Pasquale, Jesús Algaba, Pablo Montero de Hijes, et al.
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