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Takayoshi Ishimoto

Showing results (11-20 of 40) with videos related to

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ACS Applied Materials & Interfaces|August 8, 2024
Universal Predictive Power: Introducing the Electronic Structure Decomposition Approach for CO Adsorption and Activation on Al<sub>2</sub>O<sub>3</sub>-Supported Ru NanoparticlesDavid S Rivera Rocabado, Mika Aizawa, Takayoshi Ishimoto
The Journal of Physical Chemistry. B|March 11, 2011
Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysinesSaif Ullah, Takayoshi Ishimoto, Mike P Williamson, et al.
Physical Chemistry Chemical Physics : PCCP|January 13, 2025
Theoretical and machine learning models for reaction-barrier predictions: acrylate and methacrylate radical reactionsMakito Takagi, Tomomi Shimazaki, Osamu Kobayashi, et al.
The Journal of Physical Chemistry. A|June 2, 2006
Geometric isotope effect of various intermolecular and intramolecular C-H...O hydrogen bonds, using the multicomponent molecular orbital methodTaro Udagawa, Takayoshi Ishimoto, Hiroaki Tokiwa, et al.
The Journal of Chemical Physics|December 10, 2008
H/D isotope effect in methyl torsional interaction of acetone as calculated by a multicomponent molecular orbital methodTakayoshi Ishimoto, Yasuyuki Ishihara, Hiroyuki Teramae, et al.
The Journal of Physical Chemistry. A|September 21, 2023
Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice I<sub>h</sub>Yuya Shimohata, Yusuke Kanematsu, David S Rivera Rocabado, et al.
The Journal of Chemical Physics|June 6, 2008
HD isotope effect of methyl internal rotation for acetaldehyde in ground state as calculated from a multicomponent molecular orbital methodTakayoshi Ishimoto, Yasuyuki Ishihara, Hiroyuki Teramae, et al.
Physical Chemistry Chemical Physics : PCCP|September 18, 2025
A multi-component density functional study on quantum effects of hydrogen nuclei on ground-state and excited-state proton transfer reactions in 7-hydroxyquinolineTaro Udagawa, Hinata Nagasaka, Yusuke Kanematsu, et al.
The Journal of Chemical Physics|August 10, 2011
Geometrical structure of benzene and naphthalene: ultrahigh-resolution laser spectroscopy and ab initio calculationMasaaki Baba, Yasuyuki Kowaka, Umpei Nagashima, et al.
The Journal of Physical Chemistry. A|January 12, 2007
Quantum treatment of hydrogen nuclei in primary kinetic isotope effects in a thermal [1,5]-sigmatropic hydrogen (or deuterium) shift from (Z)-1,3-pentadieneYasuaki Itou, Seiji Mori, Taro Udagawa, et al.
Pageof 4

Showing results (11-20 of 40) with videos related to

Sort By:
Pageof 4
ACS Applied Materials & Interfaces|August 8, 2024
Universal Predictive Power: Introducing the Electronic Structure Decomposition Approach for CO Adsorption and Activation on Al<sub>2</sub>O<sub>3</sub>-Supported Ru NanoparticlesDavid S Rivera Rocabado, Mika Aizawa, Takayoshi Ishimoto
The Journal of Physical Chemistry. B|March 11, 2011
Ab initio calculations of deuterium isotope effects on chemical shifts of salt-bridged lysinesSaif Ullah, Takayoshi Ishimoto, Mike P Williamson, et al.
Physical Chemistry Chemical Physics : PCCP|January 13, 2025
Theoretical and machine learning models for reaction-barrier predictions: acrylate and methacrylate radical reactionsMakito Takagi, Tomomi Shimazaki, Osamu Kobayashi, et al.
The Journal of Physical Chemistry. A|June 2, 2006
Geometric isotope effect of various intermolecular and intramolecular C-H...O hydrogen bonds, using the multicomponent molecular orbital methodTaro Udagawa, Takayoshi Ishimoto, Hiroaki Tokiwa, et al.
The Journal of Chemical Physics|December 10, 2008
H/D isotope effect in methyl torsional interaction of acetone as calculated by a multicomponent molecular orbital methodTakayoshi Ishimoto, Yasuyuki Ishihara, Hiroyuki Teramae, et al.
The Journal of Physical Chemistry. A|September 21, 2023
Quantum Effects of Hydrogen Nuclei on the Nuclear Magnetic Shielding Tensor of Ice I<sub>h</sub>Yuya Shimohata, Yusuke Kanematsu, David S Rivera Rocabado, et al.
The Journal of Chemical Physics|June 6, 2008
HD isotope effect of methyl internal rotation for acetaldehyde in ground state as calculated from a multicomponent molecular orbital methodTakayoshi Ishimoto, Yasuyuki Ishihara, Hiroyuki Teramae, et al.
Physical Chemistry Chemical Physics : PCCP|September 18, 2025
A multi-component density functional study on quantum effects of hydrogen nuclei on ground-state and excited-state proton transfer reactions in 7-hydroxyquinolineTaro Udagawa, Hinata Nagasaka, Yusuke Kanematsu, et al.
The Journal of Chemical Physics|August 10, 2011
Geometrical structure of benzene and naphthalene: ultrahigh-resolution laser spectroscopy and ab initio calculationMasaaki Baba, Yasuyuki Kowaka, Umpei Nagashima, et al.
The Journal of Physical Chemistry. A|January 12, 2007
Quantum treatment of hydrogen nuclei in primary kinetic isotope effects in a thermal [1,5]-sigmatropic hydrogen (or deuterium) shift from (Z)-1,3-pentadieneYasuaki Itou, Seiji Mori, Taro Udagawa, et al.
Pageof 4