Ab initio study of He2H+ and Ne2H+: accurate structure and energetics

被引：0
|
作者：
机构：
来源：
J Chem Phys | / 9卷 / 4413期
关键词：
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
  • [21] An ab initio potential energy surface of the He+H2+ → HeH++H reaction
    Xu, Wenwu
    Liu, Xinguo
    Luan, Shixia
    Zhang, Qinggang
    Zhang, Peiyu
    CHEMICAL PHYSICS LETTERS, 2008, 464 (1-3) : 92 - 96
  • [22] AB-INITIO CALCULATION OF THE HE(2(1)S)+H-2 INTERACTION
    BEVSEK, HM
    FALCETTA, MF
    SISKA, PE
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1994, 207 : 210 - PHYS
  • [23] A new ab initio potential energy surface for the Ne-H2 interaction
    Lique, Francois
    CHEMICAL PHYSICS LETTERS, 2009, 471 (1-3) : 54 - 58
  • [24] AN AB-INITIO STUDY OF THE STRUCTURE AND ENERGETICS OF HONF2 AND ONF2
    SHAMOVSKY, IL
    YAROVSKY, IY
    GERSHENZON, YM
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1993, 103 (1-2): : 43 - 48
  • [25] Ab initio study of lithochlorosilylenoid H2SiLiCl
    FENG
    JU
    DENG
    Chinese Journal of Chemistry, 1991, (05) : 404 - 409
  • [26] Ab initio study of the H+ClONO2 reaction
    Chen, XF
    Zhang, X
    Han, KL
    Varandas, AJC
    CHEMICAL PHYSICS LETTERS, 2006, 421 (4-6) : 453 - 459
  • [27] ab initio Study on the Spectroscopy of H2CCC
    Shu Xin
    Zhao Zeng-Xia
    Zhang Hong-Xing
    Sun Chia-Chung
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2010, 31 (01): : 125 - 129
  • [28] Ab initio energetics and kinetics study of H2 and CH4 in the SI clathrate hydrate
    Li, Qi
    Kolb, Brian
    Roman-Perez, Guillermo
    Soler, Jose M.
    Yndurain, Felix
    Kong, Lingzhu
    Langreth, D. C.
    Thonhauser, T.
    PHYSICAL REVIEW B, 2011, 84 (15):
  • [29] Accurate ab initio calculations on the rate constants of the direct hydrogen abstraction reaction C2H+H2 → C2H2+H
    Zhang, X
    Ding, YH
    Li, ZS
    Huang, XR
    Sun, CC
    JOURNAL OF PHYSICAL CHEMISTRY A, 2000, 104 (36): : 8375 - 8381
  • [30] The long-range interaction between He and H-2(+): An ab initio and dynamical study
    Falcetta, MF
    Siska, PE
    MOLECULAR PHYSICS, 1996, 88 (03) : 647 - 662
12345