ACS Omega
(Jun 2022)
Molecular Structure Optimization Based on Electrons–Nuclei Quantum Dynamics Computation
- Hirotoshi Hirai,
- Takahiro Horiba,
- Soichi Shirai,
- Keita Kanno,
- Keita Omiya,
- Yuya O. Nakagawa,
- Sho Koh
Affiliations
- Hirotoshi Hirai
- Toyota Central R&D Laboratories., Inc., Nagakute, Aichi, Japan
- Takahiro Horiba
- Toyota Central R&D Laboratories., Inc., Nagakute, Aichi, Japan
- Soichi Shirai
- Toyota Central R&D Laboratories., Inc., Nagakute, Aichi, Japan
- Keita Kanno
- QunaSys Inc., Tokyo, Japan
- Keita Omiya
- QunaSys Inc., Tokyo, Japan
- Yuya O. Nakagawa
- QunaSys Inc., Tokyo, Japan
- Sho Koh
- QunaSys Inc., Tokyo, Japan
- DOI
-
https://doi.org/10.1021/acsomega.2c01546
- Journal volume & issue
-
Vol. 7,
no. 23
pp.
19784
– 19793
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