Art

J-GLOBAL ID：201702236361811126   Reference number：17A0492948

A new potential energy surface of LiHCl system and dynamic studies for the Li(²S) + HCl(X¹Σ⁺) → LiCl(X¹Σ⁺) + H(²S) reaction

Li(²S)+HCl(X¹Σ⁺)→LiCl(X¹Σ⁺)+H(²S)反応に対するLiHCl系の新しいポテンシャルエネルギー面と動力学的調査

Author (4)： He Di (Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024, People’s Republic of China) ,  Yuan Jiuchuang (Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024, People’s Republic of China) ,  Li Huixing (Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024, People’s Republic of China) ,  Chen Maodu (Key Laboratory of Materials Modification by Laser, Electron, and Ion Beams (Ministry of Education), School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024, People’s Republic of China)
Material： Journal of Chemical Physics  (J Chem Phys)
Volume： 145  Issue： 23  Page： 234312-234312-7  Publication year： Dec. 21, 2016 
JST Material Number： C0275A  ISSN： 0021-9606  CODEN： JCPSA6  Document type： Article
Article type： 原著論文  Country of issue： United States (USA)  Language： ENGLISH (EN)

Thesaurus term： *potential energy surface ,  *lithium compound ,  *hydrogen chloride ,  lithium chloride ,  configuration interaction method ,  *ground state ,  basis set ,  relativistic effect ,  atom ,  lithium ,  neural network(biomodel) ,  spectroscopic constant ,  transition state ,  complex(compound) ,  reactive scattering ,  *reaction kinetics ,  reaction probability ,  integrated cross section ,  reaction path ,  potential barrier
Semi thesaurus term： hydrogen atom ,  reaction dynamics ,  reaction barrier

JST classification (3)： Properties of molecules in general  (BH05031D) ,  Gevmetry of molecules in general  (BH05021S) ,  Reaction kinetics and catalyst in general  (CB06010G)

Terms in the title (4)： Li ,  ポテンシャルエネルギー面 ,  動力学 ,  調査