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Physical Chemistry Chemical Physics : PCCP
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April 19, 2022
Leveraging algorithmic search in quantum chemical reaction path finding
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
September 22, 2006
Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms
Takuya Horio, Satoshi Maeda, Naoki Kishimoto, et al.
Journal of Chemical Theory and Computation
|
January 23, 2023
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
Plos One
|
May 17, 2022
Designing transformer oil immersion cooling servers for machine learning and first principle calculations
Keisuke Takahashi, Itsuki Miyazato, Satoshi Maeda, et al.
The Journal of Chemical Physics
|
October 24, 2014
Complete active space second order perturbation theory (CASPT2) study of N(²D) + H₂O reaction paths on D₁ and D₀ potential energy surfaces: direct and roaming pathways
Miho Isegawa, Fengyi Liu, Satoshi Maeda, et al.
Nihon Rinsho. Japanese Journal of Clinical Medicine
|
December 20, 2018
Enteral nutrition and dietary interventions
Takayuki Yamamoto, Takahiro Shimoyama, Satoshi Maeda, et al.
Organic & Biomolecular Chemistry
|
March 28, 2023
Highly chemoselective ligands for Suzuki-Miyaura cross-coupling reaction based on virtual ligand-assisted screening
Wataru Matsuoka, Yu Harabuchi, Yuuya Nagata, et al.
The Journal of Chemical Physics
|
July 23, 2004
An overlap expansion method for improving ab initio model potentials: anisotropic intermolecular potentials of N2, CO, and C2H2 with He*(2(3)S)
Satoshi Maeda, Masakazu Yamazaki, Naoki Kishimoto, et al.
The Journal of Chemical Physics
|
July 10, 2015
Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
September 27, 2014
Systematic exploration of minimum energy conical intersection structures near the Franck-Condon region
Satoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, et al.
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of 25
Search research articles
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Showing results (81-90 of 248) with videos related to
Sort By:
Page
of 25
Physical Chemistry Chemical Physics : PCCP
|
April 19, 2022
Leveraging algorithmic search in quantum chemical reaction path finding
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
September 22, 2006
Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms
Takuya Horio, Satoshi Maeda, Naoki Kishimoto, et al.
Journal of Chemical Theory and Computation
|
January 23, 2023
Exploring the Quantum Chemical Energy Landscape with GNN-Guided Artificial Force
Atsuyuki Nakao, Yu Harabuchi, Satoshi Maeda, et al.
Plos One
|
May 17, 2022
Designing transformer oil immersion cooling servers for machine learning and first principle calculations
Keisuke Takahashi, Itsuki Miyazato, Satoshi Maeda, et al.
The Journal of Chemical Physics
|
October 24, 2014
Complete active space second order perturbation theory (CASPT2) study of N(²D) + H₂O reaction paths on D₁ and D₀ potential energy surfaces: direct and roaming pathways
Miho Isegawa, Fengyi Liu, Satoshi Maeda, et al.
Nihon Rinsho. Japanese Journal of Clinical Medicine
|
December 20, 2018
Enteral nutrition and dietary interventions
Takayuki Yamamoto, Takahiro Shimoyama, Satoshi Maeda, et al.
Organic & Biomolecular Chemistry
|
March 28, 2023
Highly chemoselective ligands for Suzuki-Miyaura cross-coupling reaction based on virtual ligand-assisted screening
Wataru Matsuoka, Yu Harabuchi, Yuuya Nagata, et al.
The Journal of Chemical Physics
|
July 23, 2004
An overlap expansion method for improving ab initio model potentials: anisotropic intermolecular potentials of N2, CO, and C2H2 with He*(2(3)S)
Satoshi Maeda, Masakazu Yamazaki, Naoki Kishimoto, et al.
The Journal of Chemical Physics
|
July 10, 2015
Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5
Yu Harabuchi, Yuriko Ono, Satoshi Maeda, et al.
The Journal of Physical Chemistry. A
|
September 27, 2014
Systematic exploration of minimum energy conical intersection structures near the Franck-Condon region
Satoshi Maeda, Yu Harabuchi, Tetsuya Taketsugu, et al.
Page
of 25