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Kanta Ando
Kanta Ando
Osaka Prefecture University
Chemistry
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Quantum
Computational chemistry
Photochemistry
5
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12
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Front Cover: Theoretical and Experimental Studies on the Near‐Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye: Photoinduced Hydrolysis by Radical Anion Generation (ChemPlusChem 9/2020)
2020
ChemPlusChem
Masato Kobayashi
Mei Harada
Hideo Takakura
Kanta Ando
Yuto Goto
Takao Tsuneda
Mikako Ogawa
Tetsuya Taketsugu
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Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase B
2016
The Journal of Physical Chemistry
Toshio Asada
Kanta Ando
Pradipta Bandyopadhyay
Shiro Koseki
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Free Energy Contribution Analysis Using Response Kernel Approximation: Insights into the Acylation Reaction of a Beta-Lactamase
2016
Journal of Physical Chemistry B
Toshio Asada
Kanta Ando
Pradipta Bandyopadhyay
Shiro Koseki
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Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in the QM/MM scheme
2015
Physical Chemistry Chemical Physics
Toshio Asada
Kanta Ando
Koji Sakurai
Shiro Koseki
Masataka Nagaoka
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Efficient approach to obtain free energy gradient using QM/MM MD simulation
2015
Toshio Asada
Kanta Ando
Shiro Koseki
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