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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|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.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.The Journal of Physical Chemistry. A|December 17, 2011
Nonradiative deactivation mechanisms of uracil, thymine, and 5-fluorouracil: a comparative ab initio studyShohei Yamazaki, Tetsuya TaketsuguFaraday Discussions|March 30, 2012
A computational investigation of H2 adsorption and dissociation on Au nanoparticles supported on TiO2 surfaceAndrey Lyalin, Tetsuya TaketsuguThe Journal of Physical Chemistry Letters|December 15, 2023
Roles of Singlet Fission in the Photosensitization of Silicon PhthalocyanineTakao Tsuneda, Tetsuya TaketsuguJournal of Computational Chemistry|November 20, 2018
Ab initio surface hopping excited-state molecular dynamics approach on the basis of spin-orbit coupled states: An application to the A-band photodissociation of CH3 IMuneaki Kamiya, Tetsuya TaketsuguThe Journal of Physical Chemistry Letters|June 20, 2024
Singlet Fission as the Gateway to Triplet Generation in Heavy Atom-Free Organic MoleculesTakao Tsuneda, Tetsuya TaketsuguPhysical Chemistry Chemical Physics : PCCP|September 22, 2018
Theoretical investigations on hydrogen peroxide decomposition in aquoTakao Tsuneda, Tetsuya TaketsuguThe Journal of Chemical Physics|July 23, 2004
Theoretical study of Ng--NiN(2) (Ng=Ar,Ne,He)Yuriko Ono, Tetsuya TaketsuguPageof 21