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The Journal of Chemical Physics
|
May 3, 2014
Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift
Yusuke Kanematsu, Masanori Tachikawa
The Journal of Physical Chemistry. A
|
April 28, 2015
Performance test of multicomponent quantum mechanical calculation with polarizable continuum model for proton chemical shift
Yusuke Kanematsu, Masanori Tachikawa
The Journal of Chemical Physics
|
November 17, 2014
Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme
Yusuke Kanematsu, Masanori Tachikawa
Journal of Computational Chemistry
|
June 29, 2016
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile
Yusuke Kanematsu, Masanori Tachikawa, Yu Takano
Biochemistry
|
September 21, 2016
Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism
Yojiro Hamada, Yusuke Kanematsu, Masanori Tachikawa
International Journal of Molecular Sciences
|
December 23, 2023
Computational Exploration of Minimum Energy Reaction Pathway of N<sub>2</sub>O Formation from Intermediate <i>I</i> of P450nor Using an Active Center Model
Yusuke Kanematsu, Hiroko X Kondo, Yu Takano
Chemistry, an Asian Journal
|
March 1, 2024
Phosphorescence Properties of Boron/Bismuth Hybrid Conjugated Materials
Yohei Adachi, Shota Terao, Yusuke Kanematsu, et al.
Computational and Structural Biotechnology Journal
|
June 9, 2016
Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein
Yusuke Kanematsu, Hironari Kamikubo, Mikio Kataoka, et al.
Journal of Computational Chemistry
|
December 20, 2024
Comprehensive Analysis of Deuterium Isotope Effects on Ionic H<sub>3</sub>O<sup>+…</sup>π Interactions Using Multi-Component Quantum Mechanics Methods
Taro Udagawa, Yusuke Kanematsu, Takayoshi Ishimoto, et al.
Proteins
|
January 25, 2013
Substrate-shielding and hydrolytic reaction in hydrolases
Yusuke Kanematsu, Ryotaro Koike, Takayuki Amemiya, et al.
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of 3
Search research articles
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Showing results (1-10 of 28) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
May 3, 2014
Development of multicomponent hybrid density functional theory with polarizable continuum model for the analysis of nuclear quantum effect and solvent effect on NMR chemical shift
Yusuke Kanematsu, Masanori Tachikawa
The Journal of Physical Chemistry. A
|
April 28, 2015
Performance test of multicomponent quantum mechanical calculation with polarizable continuum model for proton chemical shift
Yusuke Kanematsu, Masanori Tachikawa
The Journal of Chemical Physics
|
November 17, 2014
Theoretical analysis of geometry and NMR isotope shift in hydrogen-bonding center of photoactive yellow protein by combination of multicomponent quantum mechanics and ONIOM scheme
Yusuke Kanematsu, Masanori Tachikawa
Journal of Computational Chemistry
|
June 29, 2016
Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile
Yusuke Kanematsu, Masanori Tachikawa, Yu Takano
Biochemistry
|
September 21, 2016
Quantum Mechanics/Molecular Mechanics Study of the Sialyltransferase Reaction Mechanism
Yojiro Hamada, Yusuke Kanematsu, Masanori Tachikawa
International Journal of Molecular Sciences
|
December 23, 2023
Computational Exploration of Minimum Energy Reaction Pathway of N<sub>2</sub>O Formation from Intermediate <i>I</i> of P450nor Using an Active Center Model
Yusuke Kanematsu, Hiroko X Kondo, Yu Takano
Chemistry, an Asian Journal
|
March 1, 2024
Phosphorescence Properties of Boron/Bismuth Hybrid Conjugated Materials
Yohei Adachi, Shota Terao, Yusuke Kanematsu, et al.
Computational and Structural Biotechnology Journal
|
June 9, 2016
Vibrational analysis on the revised potential energy curve of the low-barrier hydrogen bond in photoactive yellow protein
Yusuke Kanematsu, Hironari Kamikubo, Mikio Kataoka, et al.
Journal of Computational Chemistry
|
December 20, 2024
Comprehensive Analysis of Deuterium Isotope Effects on Ionic H<sub>3</sub>O<sup>+…</sup>π Interactions Using Multi-Component Quantum Mechanics Methods
Taro Udagawa, Yusuke Kanematsu, Takayoshi Ishimoto, et al.
Proteins
|
January 25, 2013
Substrate-shielding and hydrolytic reaction in hydrolases
Yusuke Kanematsu, Ryotaro Koike, Takayuki Amemiya, et al.
Page
of 3