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Physical Chemistry Chemical Physics : PCCP|September 24, 2025
Positron binding in large water clusters: insights into cage-structured systemsDaisuke Yoshida, Toshiyuki Takayanagi, Yukiumi Kita, et al.Physical Chemistry Chemical Physics : PCCP|May 29, 2025
Applications of the density functional method combined with the electron-positron correlation-polarization potential to positron binding to hydrocarbons and water clustersDaisuke Yoshida, Toshiyuki Takayanagi, Yukiumi Kita, et al.Journal of Computational Chemistry|August 26, 2020
Spin-inversion mechanisms in O2 binding to a model heme compound: A perspective from nonadiabatic wave packet calculationsKohei Saito, Yuya Watabe, Takaaki Miyazaki, et al.Journal of Computational Chemistry|February 6, 2020
Spin-inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculationsKohei Saito, Yuya Watabe, Takashi Fujihara, et al.The Journal of Physical Chemistry. A|December 8, 2022
Ring-Polymer Molecular Dynamics and Kinetics for the H- + C2H2 → H2 + C2H- Reaction Using the Full-Dimensional Potential Energy SurfaceTatsuhiro Murakami, Ryusei Iida, Yu Hashimoto, et al.Journal of Computational Chemistry|April 1, 2020
Positron-electron correlation-polarization potential model for positron binding in polyatomic moleculesYutaro Sugiura, Haruya Suzuki, Takuma Otomo, et al.The Journal of Physical Chemistry. A|February 24, 2025
Attractive Force-Induced Isotope Effects through Ring-Polymer Molecular Dynamics Simulations for the Barrierless Reaction between HNCO and H3+ Isotopologues: H3+, H2D+, HD2+, and D3Tatsuhiro Murakami, Haruki Ota, Shoto Nakagawa, et al.The Journal of Physical Chemistry. A|August 5, 2010
Theoretical study on the excess electron binding mechanism in the [CH(3)NO(2).(H(2)O)(n)](-) (n = 1-6) anion clustersHaruki Motegi, Toshiyuki Takayanagi, Takao Tsuneda, et al.Journal of Computational Chemistry|August 22, 2025
Effects of Halogenations and Conformational Isomers on Positron Binding in Halogenated HydrocarbonsMiu Ashiba, Daisuke Yoshida, Yukiumi Kita, et al.Inorganic Chemistry|November 12, 2013
Preferential behavior on donating atoms of an ambidentate ligand 2-methylisothiazol-3(2H)-one in its metal complexesMasaru Kato, Kei Unoura, Toshiyuki Takayanagi, et al.Pageof 6