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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 KosekiJournal 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 KollmanJA Clinical Reports|November 6, 2023
Bilateral multiple stroke, left upper extremity ischemia, and transient complete atrioventricular block in transcatheter aortic valve implantation: a case reportYuki Mitsuta, Shingo Nakamura, Yumiko Uemura, et al.Photochemistry and Photobiology|September 5, 2020
Exploring the Reaction Paths on the Potential Energy Surfaces of the S1 and T1 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.Pageof 4