Topology of the electrostatic potential in the analysis of molecular reactivities and hydrogen bonds

被引：0
|
作者：
Molins, Elies [1 ]
Mata, Ignasi [1 ]
Espinosa, Enrique [2 ]
Alkorta, Ibon [3 ]
机构：
[1] CSIC, Inst Ciencia Mat Barcelona ICMAB, Crystallog, Barcelona 08193, Spain
[2] Univ Henri Poincare, Nancy, France
[3] CSIC, IQM, Madrid, Spain
来源：
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2008年 / 64卷
关键词：
electrostatic potential; topology; hydrogen bonds;
D O I：
10.1107/S0108767308081816
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
P14.06.05
引用
收藏
页码：C566 / C566
页数：1
相关论文
共 50 条
  • [21] Hydrogen bonds and molecular structure
    Taft, RW
    Berthelot, M
    Laurence, C
    Leo, AJ
    CHEMTECH, 1996, 26 (07) : 20 - 29
  • [22] Topological analysis of aromatic halogen/hydrogen bonds by electron charge density and electrostatic potentials
    Darío J. R. Duarte
    Margarita M. de las Vallejos
    Nélida M. Peruchena
    Journal of Molecular Modeling, 2010, 16 : 737 - 748
  • [23] Topological analysis of aromatic halogen/hydrogen bonds by electron charge density and electrostatic potentials
    Duarte, Dario J. R.
    de las Vallejos, Margarita M.
    Peruchena, Nelida M.
    JOURNAL OF MOLECULAR MODELING, 2010, 16 (04) : 737 - 748
  • [24] Antiaromaticity-Aromaticity Interplay in Fused Benzenoid Systems Using Molecular Electrostatic Potential Topology
    Anjalikrishna, Puthannur K.
    Gadre, Shridhar R.
    Suresh, Cherumuttathu H.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2021, 125 (27): : 5999 - 6012
  • [25] Diversity of potential hydrogen bonds in cellulose I revealed by molecular dynamics simulation
    Chen, Pan
    Nishiyama, Yoshiharu
    Putaux, Jean-Luc
    Mazeau, Karim
    CELLULOSE, 2014, 21 (02) : 897 - 908
  • [26] Diversity of potential hydrogen bonds in cellulose I revealed by molecular dynamics simulation
    Pan Chen
    Yoshiharu Nishiyama
    Jean-Luc Putaux
    Karim Mazeau
    Cellulose, 2014, 21 : 897 - 908
  • [27] Halogen bonds as orthogonal molecular interactions to hydrogen bonds
    Voth A.R.
    Khuu P.
    Oishi K.
    Ho P.S.
    Nature Chemistry, 2009, 1 (1) : 74 - 79
  • [28] Halogen bonds as orthogonal molecular interactions to hydrogen bonds
    Voth, Andrea Regier
    Khuu, Patricia
    Oishi, Keita
    Ho, P. Shing
    NATURE CHEMISTRY, 2009, 1 (01) : 74 - 79
  • [29] Molecular electrostatic potential analysis of non-covalent complexes
    PADINJARE VEETIL BIJINA
    CHERUMUTTATHU H SURESH
    Journal of Chemical Sciences, 2016, 128 : 1677 - 1686
  • [30] THE MOLECULAR ELECTROSTATIC POTENTIAL OF THE INSULIN
    SHAO, J
    WEN, YK
    LI, ZM
    ACTA CHIMICA SINICA, 1986, 44 (02) : 125 - 132
12345