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Journal of Molecular Graphics & Modelling|September 19, 2018
Simulations on methane uptake in tunable pillared porous graphene hybrid architecturesHao Jiang, Xin-Lu ChengJournal of Molecular Modeling|July 24, 2019
MD simulation of methane adsorption properties on pillared graphene bubble modelsHao Jiang, Xin-Lu ChengJournal of Molecular Graphics & Modelling|April 13, 2021
Separation of C1/C3 binary organic gas mixtures via flexible nanoporous carbon molecular sieves: DFT calculations and MD simulationsFeng Miao, Hao Jiang, Xin-Lu ChengThe Journal of Physical Chemistry. A|December 24, 2019
Study on the Ti K, L2,3, and M Edges of SrTiO3 and PbTiO3Qi Zhao, Xin-Lu ChengPhysical Chemistry Chemical Physics : PCCP|February 1, 2023
The role of the sextet potential energy surface in O2 + N inelastic collision processesXia Huang, Xin-Lu ChengThe Journal of Chemical Physics|December 13, 2012
Theoretical prediction of the reaction of s-triazine with nitrate radical: a new possible route to generate oxy-s-triazineJi-Dong Zhang, Xin-Lu ChengThe Journal of Chemical Physics|November 8, 2024
Rate coefficients for C and O2 reactive collisions relevant to interstellar clouds from QCT and machine learningXia Huang, Xin-Lu Cheng, Hong ZhangThe Journal of Physical Chemistry. A|March 13, 2012
Reactive molecular dynamics simulation of solid nitromethane impact on (010) surfaces induced and nonimpact thermal decompositionFeng Guo, Xin-lu Cheng, Hong ZhangPhysical Chemistry Chemical Physics : PCCP|March 14, 2023
Real-time dynamic simulation of laser-induced N2 dissociation on two-dimensional graphene sheetsJiuhuan Chen, Xin-Lu Cheng, Hong ZhangThe Journal of Chemical Physics|June 22, 2023
Exhaustive state-specific dissociation study of the N2(Σg+1)+N(S4) system using QCT combined with a neural network methodKun-Ming Gu, Hong Zhang, Xin-Lu ChengPageof 279