Cooperativity effects in cyclic trifluoromethanol trimer: an ab initio study

被引:0
|
作者
机构
来源
J Molec Struct | / 1卷 / 119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
  • [41] AB-INITIO STUDY OF THE DICATION CARBON TRIMER C-3(2+)
    HOGREVE, H
    JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (08): : 3281 - 3291
  • [42] Theoretical ab initio study of substituted benzene trimer: Interplay between hydrogen bonding and π-π interactions
    Estarellas, Carolina
    Frontera, Antonio
    Quinonero, David
    Deya, Pere M.
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2011, 975 (1-3) : 106 - 110
  • [43] Ab initio and group theoretical study of properties of a carbon trimer defect in hexagonal boron nitride
    Golami, Omid
    Sharman, Kenneth
    Ghobadi, Roohollah
    Wein, Stephen C.
    Zadeh-Haghighi, Hadi
    da Rocha, Claudia Gomes
    Salahub, Dennis R.
    Simon, Christoph
    PHYSICAL REVIEW B, 2022, 105 (18)
  • [44] AB-INITIO STUDY OF COOPERATIVITY IN WATER CHAINS - BINDING-ENERGIES AND ANHARMONIC FREQUENCIES
    OJAMAE, L
    HERMANSSON, K
    JOURNAL OF PHYSICAL CHEMISTRY, 1994, 98 (16): : 4271 - 4282
  • [45] The effect of hydrogen-bonding cooperativity on the strength and properties of σ-hole interactions: an ab initio study
    Esrafili, Mehdi D.
    Vakili, Mahshad
    MOLECULAR PHYSICS, 2017, 115 (08) : 913 - 924
  • [46] Halogen/π interaction and cooperativity effect between dihalogen molecules and unsaturated hydrocarbons: An ab initio study
    Xu, Lin
    Zou, Jian-Wei
    Lu, Yun-Xiang
    Yu, Qing-Sen
    Zhang, Na
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 897 (1-3): : 12 - 16
  • [47] Torsional eigenvalues of the water trimer on several ab initio potential surfaces
    Guiang, CS
    Wyatt, RE
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1998, 68 (04) : 233 - 252
  • [48] Reaction pathways of singlet silylene and singlet germylene with water, methanol, ethanol, dimethyl ether, and trifluoromethanol: An ab initio molecular orbital study
    Heaven, MW
    Metha, GF
    Buntine, MA
    JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (07): : 1185 - 1196
  • [49] Interatomic Coulombic decay widths of helium trimer: Ab initio calculations
    Kolorenc, Premysl
    Sisourat, Nicolas
    JOURNAL OF CHEMICAL PHYSICS, 2015, 143 (22):
  • [50] Timescale of π-Stacking Formation in a Benzene Trimer Cation Formed by Ionization of the Parent Neutral Trimer: A Direct Ab Initio Molecular Dynamics Study
    Tachikawa, Hiroto
    Miyazawa, Yoshiyuki
    Iura, Ryoshu
    CHEMISTRYSELECT, 2018, 3 (04): : 1113 - 1119