Art

J-GLOBAL ID：202002252991266545   Reference number：20A0390168

Quantum Chemical Exploration of Intermolecular Reactions of Acetylene

アセチレンの分子間反応の量子化学探査【JST・京大機械翻訳】

Author (4)： Ohno Koichi (Institute for Quantum Chemical Exploration, Konan 1-9-36, Minato-ku, Tokyo, 108-0075, Japan) ,  Ohno Koichi (Tohoku University, Graduate School of Science, Aramaki Aza-Aoba 6-3, Aoba-ku, Sendai, Miyagi, 980-8578, Japan) ,  Oki Takuto (Faculty of Systems Engineering, Wakayama University, Sakaedani 930, Wakayama, Wakayama, 640-8510, Japan) ,  Yamakado Hideo (Faculty of Systems Engineering, Wakayama University, Sakaedani 930, Wakayama, Wakayama, 640-8510, Japan)
Material： Journal of Computational Chemistry  (J Comput Chem)
Volume： 41  Issue： 7  Page： 687-697  Publication year： 2020 
JST Material Number： C0111B  ISSN： 0192-8651  CODEN： JCCHDD  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Abstract/Point： Quantum chemical explorations ...

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Thesaurus term： monomer ,  dimer ,  trimer ,  mechanochemistry ,  reaction path ,  potential energy surface ,  *quantum chemistry ,  tetramer ,  molecular arrangement ,  polyene ,  cycloalkene ,  diene ,  olefin compound ,  aromatic hydrocarbon ,  conjugated diene ,  alkyne

Author keywords (4)： potential energy surface ,  acetylene ,  reaction route ,  mechanochemistry

JST classification (3)： Electronic structure of molecules  (BH05010Q) ,  Molecular and genetic information processing  (JE15040B) ,  Aromatic monocyclic halogen compounds  (CF05030H)

Substance index (6)： Cyclooctatetraene ,  Dewar benzene ,  Benzvalene ,  Benzene ,  Cyclobutadiene ,  Acetylene

Terms in the title (3)： アセチレン ,  量子化学 ,  探査