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Journal of Computational Chemistry|September 30, 2011
Ab initio molecular dynamics approach to tunneling splitting in polyatomic moleculesYusuke Ootani, Tetsuya TaketsuguJournal of Computational Chemistry|January 8, 2015
Theoretical investigation of enantioselectivity of cage-like supramolecular assembly: the insights into the shape complementarity and host-guest interactionYusuke Ootani, Yoshinobu Akinaga, Takahito NakajimaJournal of Computational Chemistry|April 3, 2020
Trajectory on-the-fly molecular dynamics approach to tunneling splitting in the electronic excited state: A case of tropoloneYusuke Ootani, Aya Satoh, Yu Harabuchi, et al.ACS Applied Materials & Interfaces|March 3, 2016
A Study on Electrolytic Corrosion of Boron-Doped Diamond Electrodes when Decomposing Organic CompoundsTakeshi Kashiwada, Takeshi Watanabe, Yusuke Ootani, et al.The Journal of Chemical Physics|November 26, 2009
Ab initio molecular dynamics simulation of photoisomerization in azobenzene in the n pi* stateYusuke Ootani, Kiminori Satoh, Akira Nakayama, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|January 29, 2021
Non-Empirical Law for Nanoscale Atom-by-Atom WearYang Wang, Jingxiang Xu, Yusuke Ootani, et al.RSC Advances|March 2, 2023
Mechanisms of chemical-reaction-induced tensile deformation of an Fe/Ni/Cr alloy revealed by reactive atomistic simulationsYang Wang, Haoyu Zhao, Chang Liu, et al.Langmuir : the ACS Journal of Surfaces and Colloids|May 17, 2026
Environment-Dependent Wear Mechanisms of Diamond-Like Carbon/Fe Interface under H2O and HNO3 Aqueous Environments: A Reactive Molecular Dynamics StudyMizuho Yokoi, Yusuke Ootani, Masayuki Kawaura, et al.Physical Chemistry Chemical Physics : PCCP|January 11, 2021
Cooperative roles of chemical reactions and mechanical friction in chemical mechanical polishing of gallium nitride assisted by OH radicals: tight-binding quantum chemical molecular dynamics simulationsKentaro Kawaguchi, Yang Wang, Jingxiang Xu, et al.ACS Applied Materials & Interfaces|August 17, 2021
Atom-by-Atom and Sheet-by-Sheet Chemical Mechanical Polishing of Diamond Assisted by OH Radicals: A Tight-Binding Quantum Chemical Molecular Dynamics Simulation StudyKentaro Kawaguchi, Yang Wang, Jingxiang Xu, et al.Pageof 2