Insights into the molecular structure of hydrogen chloride-cis-1,2-difluoroethylene from ab initio calculation of an intermolecular potential energy surface

被引：0
|
作者：
Yoon, Leonard [1 ]
Leung, Helen [1 ]
Marshall, Mark [1 ]
机构：
[1] Amherst Coll, Dept Chem, Amherst, MA 01002 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2017年 / 254卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
484
引用
收藏
页数：1
相关论文
共 41 条
  • [1] Calculation of the potential energy surface for intermolecular amide hydrogen bonds using semiempirical and ab initio methods
    Adalsteinsson, H
    Maulitz, AH
    Bruice, TC
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (33) : 7689 - 7693
  • [2] Ab initio intermolecular potential energy surface and thermophysical properties of hydrogen sulfide
    Hellmann, Robert
    Bich, Eckard
    Vogel, Eckhard
    Vesovic, Velisa
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (30) : 13749 - 13758
  • [3] Preserving the symmetry of cis-1,2-difluoroethylene in the gas-phase heterodimer with hydrogen chloride: A microwave rotational study revealing a novel structure
    Leung, Helen O.
    Marshall, Mark D.
    JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (10):
  • [4] Accurate ab initio calculation of the Ar-CF4 intermolecular potential energy surface
    Shen, Ching-Chi
    Chang, Rong-Yeu
    MOLECULAR SIMULATION, 2010, 36 (14) : 1111 - 1122
  • [5] A new intermolecular potential energy surface for carbon dioxide from ab initio calculations
    Bock, S
    Bich, E
    Vogel, E
    CHEMICAL PHYSICS, 2000, 257 (2-3) : 147 - 156
  • [6] Interaction of methanol with molecular hydrogen: Ab initio potential energy surface and scattering calculations
    Dagdigian, Paul J.
    JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (11):
  • [7] Interaction of the HCO radical with molecular hydrogen: Ab initio potential energy surface and scattering calculations
    Dagdigian, Paul J.
    JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (22): : 224304
  • [8] π-Hydrogen Bonding of Aromatics on the Surface of Aerosols: Insights from Ab Initio and Molecular Dynamics Simulation
    Feng, Ya-Juan
    Huang, Teng
    Wang, Chao
    Liu, Yi-Rong
    Jiang, Shuai
    Miao, Shou-Kui
    Chen, Jiao
    Huang, Wei
    JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 120 (27): : 6667 - 6673
  • [9] On the accuracy of analytical potentials: comment on 'Accurate ab initio calculation of the Ar-CF4 intermolecular potential energy surface'
    Alexander, William A.
    MOLECULAR SIMULATION, 2015, 41 (08) : 610 - 612
  • [10] Interaction of the SH+ ion with molecular hydrogen: Ab initio potential energy surface and scattering calculations
    Dagdigian, Paul J.
    JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (08):
12345