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Physical Chemistry Chemical Physics : PCCP|September 8, 2020
Franck-Condon simulations of transition-state spectra for the OH + H2O and OD + D2O reactionsYutaro Sugiura, Toshiyuki TakayanagiThe Journal of Physical Chemistry. A|December 17, 2021
Ring-Polymer Molecular Dynamics Calculations of Thermal Rate Coefficients and Branching Ratios for the Interstellar H3+ + CO → H2 + HCO+/HOC+ Reaction and Its Deuterated AnalogueKohei Saito, Yu Hashimoto, Toshiyuki TakayanagiMolecules (Basel, Switzerland)|February 22, 2020
Reduced-Dimensionality Quantum Dynamics Study of the 3Fe(CO)4 + H2 1FeH2(CO)4 Spin-inversion ReactionToshiyuki Takayanagi, Yuya Watabe, Takaaki MiyazakiPhysical Chemistry Chemical Physics : PCCP|October 2, 2009
H6+ in irradiated solid para-hydrogen and its decay dynamics: reinvestigation of quartet electron paramagnetic resonance lines assigned to H2-Takayuki Kumada, Hiroto Tachikawa, Toshiyuki TakayanagiThe Journal of Physical Chemistry. A|December 11, 2008
Theoretical study on the mechanism of low-energy dissociative electron attachment for uracilToshiyuki Takayanagi, Tomoko Asakura, Haruki MotegiJournal of Computational Chemistry|April 21, 2018
On the ion-pair dissociation mechanisms in the small NaCl·(H2 O)6 cluster: A perspective from reaction path search calculationsToshiyuki Takayanagi, Taiki Nakatomi, Yoshiteru YonetaniPhysical Chemistry Chemical Physics : PCCP|May 17, 2017
Photoexcited Ag ejection from a low-temperature He cluster: a simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamicsYusuke Seki, Toshiyuki Takayanagi, Motoyuki ShigaThe Journal of Physical Chemistry. A|October 24, 2013
Theoretical study of excess electron attachment dynamics to the guanine-cytosine base pair: electronic structure calculations and ring-polymer molecular dynamics simulationsYuji Sugioka, Takehiro Yoshikawa, Toshiyuki TakayanagiMolecules (Basel, Switzerland)|December 10, 2021
On-the-Fly Ring-Polymer Molecular Dynamics Calculations of the Dissociative Photodetachment Process of the Oxalate AnionYukinobu Takahashi, Yu Hashimoto, Kohei Saito, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|February 6, 2023
Ring-polymer Molecular Dynamics Simulation for the Adsorption of H2 on Ice Clusters (H2 O)n (n=8, 10, and 12)Tatsuhiro Murakami, Kanon Ogino, Yu Hashimoto, et al.Pageof 6