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Toshio Asada

Showing results (11-20 of 26) with videos related to

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The Journal of Physical Chemistry. A|August 14, 2013
Theoretical investigation of the reaction mechanism of ClONO2 + HCl → HNO3 + Cl2 on (H2O)n (n = 0-3) clusterToshio Asada, Toshiyuki Okajima, Shiro Koseki
Journal of the American Chemical Society|October 17, 2002
Molecular dynamics simulation study of the negative correlation in antibody AZ28-catalyzed oxy-cope rearrangementToshio Asada, Hiroaki Gouda, Peter A Kollman
Photochemistry and Photobiology|September 5, 2020
Exploring the Reaction Paths on the Potential Energy Surfaces of the S<sub>1</sub> and T<sub>1</sub> States in MethylenecyclopropaneShiro Koseki, Mamoru Haruta, Nozomi Sawada, et al.
The Journal of Physical Chemistry. B|August 9, 2016
Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-LactamaseToshio Asada, Kanta Ando, Pradipta Bandyopadhyay, et al.
The Journal of Physical Chemistry. B|April 17, 2008
Molecular dynamics simulation study on stabilities and reactivities of NADH cytochrome B5 reductaseToshio Asada, Shigeru Nagase, Kichisuke Nishimoto, et al.
The Journal of Physical Chemistry. A|December 15, 2016
Numerical Estimation of the Pseudo-Jahn-Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated MoleculesShiro Koseki, Azumao Toyota, Takashi Muramatsu, et al.
The Journal of Chemical Physics|August 7, 2009
Spin-orbit coupling effects in dihydrides of third-row transition elements. II. Interplay of nonadiabatic coupling in the dissociation path of rhenium dihydrideShiro Koseki, Noriyuki Shimakura, Yuichi Fujimura, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2015
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM schemeToshio Asada, Kanta Ando, Koji Sakurai, et al.
The Journal of Chemical Physics|November 9, 2010
Tetrahydrides of third-row transition elements: spin-orbit coupling effects on the stability of rhenium tetrahydrideShiro Koseki, Taka-aki Hisashima, Toshio Asada, et al.
Journal of Computational Chemistry|August 5, 2011
Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulationsKenta Yamada, Yoshiyuki Koyano, Takuya Okamoto, et al.
Pageof 3

Showing results (11-20 of 26) with videos related to

Sort By:
Pageof 3
The Journal of Physical Chemistry. A|August 14, 2013
Theoretical investigation of the reaction mechanism of ClONO2 + HCl → HNO3 + Cl2 on (H2O)n (n = 0-3) clusterToshio Asada, Toshiyuki Okajima, Shiro Koseki
Journal of the American Chemical Society|October 17, 2002
Molecular dynamics simulation study of the negative correlation in antibody AZ28-catalyzed oxy-cope rearrangementToshio Asada, Hiroaki Gouda, Peter A Kollman
Photochemistry and Photobiology|September 5, 2020
Exploring the Reaction Paths on the Potential Energy Surfaces of the S<sub>1</sub> and T<sub>1</sub> States in MethylenecyclopropaneShiro Koseki, Mamoru Haruta, Nozomi Sawada, et al.
The Journal of Physical Chemistry. B|August 9, 2016
Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-LactamaseToshio Asada, Kanta Ando, Pradipta Bandyopadhyay, et al.
The Journal of Physical Chemistry. B|April 17, 2008
Molecular dynamics simulation study on stabilities and reactivities of NADH cytochrome B5 reductaseToshio Asada, Shigeru Nagase, Kichisuke Nishimoto, et al.
The Journal of Physical Chemistry. A|December 15, 2016
Numerical Estimation of the Pseudo-Jahn-Teller Effect Using Nonadiabatic Coupling Integrals in Monocyclic and Bicyclic Conjugated MoleculesShiro Koseki, Azumao Toyota, Takashi Muramatsu, et al.
The Journal of Chemical Physics|August 7, 2009
Spin-orbit coupling effects in dihydrides of third-row transition elements. II. Interplay of nonadiabatic coupling in the dissociation path of rhenium dihydrideShiro Koseki, Noriyuki Shimakura, Yuichi Fujimura, et al.
Physical Chemistry Chemical Physics : PCCP|September 26, 2015
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM schemeToshio Asada, Kanta Ando, Koji Sakurai, et al.
The Journal of Chemical Physics|November 9, 2010
Tetrahydrides of third-row transition elements: spin-orbit coupling effects on the stability of rhenium tetrahydrideShiro Koseki, Taka-aki Hisashima, Toshio Asada, et al.
Journal of Computational Chemistry|August 5, 2011
Toward a new approach for determination of solute's charge distribution to analyze interatomic electrostatic interactions in quantum mechanical/molecular mechanical simulationsKenta Yamada, Yoshiyuki Koyano, Takuya Okamoto, et al.
Pageof 3