2026-03-07T11:13:48Z https://shizuoka.repo.nii.ac.jp/oai

oai:shizuoka.repo.nii.ac.jp:02000035 2025-01-22T06:50:30Z 8:9

Classification of the HCN isomerization reaction dynamics in Ar buffer gas via machine learning Yamashita, Takefumi Miyamura, Naoaki Kawai, Shinnosuke 7319 90624065 7319 39a93b15-eaf3-4087-9a2b-18f89486ea90 Potential energy surfaces Machine learning Intermolecular forces Isomerization Classical trajectory method Chemical reaction dynamics Transition state theory Reaction probability Solvent effect ポテンシャルエネルギー面 機械学習 分子間力 異性化 古典トラジェクトリ 化学反応ダイナミクス 遷移状態理論 反応確率 溶媒効果 application/pdf journal article AIP Publishing 2023-09-28 VoR application/pdf The Journal of Chemical Physics 12 159 124116 00219606 https://shizuoka.repo.nii.ac.jp/record/2000035/files/240929001.pdf http://hdl.handle.net/10297/0002000035 https://shizuoka.repo.nii.ac.jp/records/2000035 eng 16KT0050 16K17852 21K03482 18K05025 10.1063/5.0156313 https://doi.org/10.1063/5.0156313 This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in The Journal of Chemical Physics and may be found at https://doi.org/10.1063/5.0156313. open access