Accurate potential surfaces for the ground state of H+C2 reaction

被引:0
|
作者
De-Quan Wang
Li-Wei Fu
Ze-Xing Qu
Ya-Kun Chen
Xu-Ri Huang
机构
[1] Institute of Theoretical Chemistry,
[2] Laboratory of Theoretical and Computational Chemistry,undefined
[3] Jilin University,undefined
来源
关键词
Molecular Physics and Chemical Physics;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
相关论文
共 50 条
  • [1] Accurate potential surfaces for the ground state of H+C2 reaction
    Wang, De-Quan
    Fu, Li-Wei
    Qu, Ze-Xing
    Chen, Ya-Kun
    Huang, Xu-Ri
    [J]. EUROPEAN PHYSICAL JOURNAL D, 2017, 71 (10):
  • [2] Accurate ground-state potential energy surfaces of the C2H2-Kr and C2H2-Xe van der Waals complexes
    Lauzin, C.
    Cauet, E.
    Demaison, J.
    Herman, M.
    Stoll, H.
    Lievin, J.
    [J]. MOLECULAR PHYSICS, 2012, 110 (21-22) : 2751 - 2760
  • [3] Global accurate diabatic potential surfaces for the reaction H + Li2
    Yin, Ruilin
    Gao, Nan
    Cao, Jing
    Li, Yanchun
    Wang, Dequan
    Huang, Xuri
    [J]. RSC ADVANCES, 2020, 10 (64) : 39226 - 39240
  • [4] Accurate Adiabatic and Diabatic Potential Energy Surfaces for the Reaction of He + H2
    Cao, Jing
    Gao, Nan
    Bai, Yuxuan
    Wang, Dequan
    Wang, Ming
    Shi, Shaokang
    Yang, Xinyu
    Huang, Xuri
    [J]. BIOMED RESEARCH INTERNATIONAL, 2022, 2022
  • [5] Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2
    Balabanov, NB
    Shepler, BC
    Peterson, KA
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2005, 109 (39): : 8765 - 8773
  • [6] POTENTIAL-ENERGY SURFACES OF THE REACTION C++H2-]CH++H
    SAKAI, S
    KATO, S
    MOROKUMA, K
    KUSUNOKI, I
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (11): : 5398 - 5409
  • [7] Accurate MRCI study of ground-state N2H2 potential energy surface
    Biczysko, M.
    Poveda, L. A.
    Varandas, A. J. C.
    [J]. CHEMICAL PHYSICS LETTERS, 2006, 424 (1-3) : 46 - 53
  • [8] Singlet and triplet potential surfaces for the O2+C2H4 reaction
    Park, Kyoyeon
    West, Aaron
    Raheja, Erica
    Sellner, Bernhard
    Lischka, Hans
    Windus, Theresa L.
    Hase, William L.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (18):
  • [9] THE GROUND-STATE SINGLET POTENTIAL SURFACE FOR C2H4
    RAGHAVACHARI, K
    FRISCH, MJ
    POPLE, JA
    SCHLEYER, PV
    [J]. CHEMICAL PHYSICS LETTERS, 1982, 85 (02) : 145 - 149
  • [10] Theoretical study of ground and excited state potential energy surfaces for the Ca+-H2 complex
    Czuchaj, E
    Krosnicki, M
    Stoll, H
    [J]. MOLECULAR PHYSICS, 2000, 98 (07) : 419 - 427