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Soichi Shirai

Showing results (1-10 of 23) with videos related to

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RSC Advances|May 2, 2022
<i>Ab initio</i> study on the excited states of pyrene and its derivatives using multi-reference perturbation theory methodsSoichi Shirai, Shinji Inagaki
Dalton Transactions (Cambridge, England : 2003)|January 16, 2024
Saccharide formation by sustainable formose reaction using heterogeneous zeolite catalystsMinoru Waki, Soichi Shirai, Yoko Hase
Journal of Chemical Theory and Computation|April 16, 2016
Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 StudySoichi Shirai, Yuki Kurashige, Takeshi Yanai
ACS Omega|April 6, 2022
Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst ModelingSoichi Shirai, Takahiro Horiba, Hirotoshi Hirai
Journal of Chemical Theory and Computation|August 19, 2024
Construction of Antisymmetric Variational Quantum States with Real Space RepresentationTakahiro Horiba, Soichi Shirai, Hirotoshi Hirai
The Journal of Chemical Physics|October 16, 2004
Accurate calculation of core-electron binding energies: multireference perturbation treatmentSoichi Shirai, Satoru Yamamoto, Shi-Aki Hyodo
The Journal of Physical Chemistry. A|June 10, 2011
Ab initio studies of aromatic excimers using multiconfiguration quasi-degenerate perturbation theorySoichi Shirai, Suehiro Iwata, Takao Tani, et al.
ACS Omega|August 29, 2019
Superior Low-Temperature Power and Cycle Performances of Na-Ion Battery over Li-Ion BatteryKazuhiko Mukai, Takao Inoue, Yuichi Kato, et al.
Science Advances|November 8, 2023
Enhanced performance of molecular electrocatalysts for CO<sub>2</sub> reduction in a flow cell following K<sup>+</sup> additionShunsuke Sato, Keita Sekizawa, Soichi Shirai, et al.
The Journal of Physical Chemistry. A|October 11, 2012
Ab initio molecular orbital study on the excited states of [2.2]-, [3.3]-, and siloxane-bridged paracyclophanesSoichi Shirai, Suehiro Iwata, Yoshifumi Maegawa, et al.
Pageof 3

Showing results (1-10 of 23) with videos related to

Sort By:
Pageof 3
RSC Advances|May 2, 2022
<i>Ab initio</i> study on the excited states of pyrene and its derivatives using multi-reference perturbation theory methodsSoichi Shirai, Shinji Inagaki
Dalton Transactions (Cambridge, England : 2003)|January 16, 2024
Saccharide formation by sustainable formose reaction using heterogeneous zeolite catalystsMinoru Waki, Soichi Shirai, Yoko Hase
Journal of Chemical Theory and Computation|April 16, 2016
Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 StudySoichi Shirai, Yuki Kurashige, Takeshi Yanai
ACS Omega|April 6, 2022
Calculation of Core-Excited and Core-Ionized States Using Variational Quantum Deflation Method and Applications to Photocatalyst ModelingSoichi Shirai, Takahiro Horiba, Hirotoshi Hirai
Journal of Chemical Theory and Computation|August 19, 2024
Construction of Antisymmetric Variational Quantum States with Real Space RepresentationTakahiro Horiba, Soichi Shirai, Hirotoshi Hirai
The Journal of Chemical Physics|October 16, 2004
Accurate calculation of core-electron binding energies: multireference perturbation treatmentSoichi Shirai, Satoru Yamamoto, Shi-Aki Hyodo
The Journal of Physical Chemistry. A|June 10, 2011
Ab initio studies of aromatic excimers using multiconfiguration quasi-degenerate perturbation theorySoichi Shirai, Suehiro Iwata, Takao Tani, et al.
ACS Omega|August 29, 2019
Superior Low-Temperature Power and Cycle Performances of Na-Ion Battery over Li-Ion BatteryKazuhiko Mukai, Takao Inoue, Yuichi Kato, et al.
Science Advances|November 8, 2023
Enhanced performance of molecular electrocatalysts for CO<sub>2</sub> reduction in a flow cell following K<sup>+</sup> additionShunsuke Sato, Keita Sekizawa, Soichi Shirai, et al.
The Journal of Physical Chemistry. A|October 11, 2012
Ab initio molecular orbital study on the excited states of [2.2]-, [3.3]-, and siloxane-bridged paracyclophanesSoichi Shirai, Suehiro Iwata, Yoshifumi Maegawa, et al.
Pageof 3