Dissecting the nature of halogen bonding interactions from energy decomposition and wavefunction analysis

被引:0
|
作者
Zhong Ai-Guo
机构
[1] Taizhou College of Pharmaceutical and Chemical Engineering,
关键词
Energy decomposition analysis (EDA); Quantum theory of atoms in molecules (QTAIM); Halogen bond;
D O I
暂无
中图分类号
学科分类号
摘要
引用
收藏
页码:1259 / 1267
页数:8
相关论文
共 50 条
  • [1] Dissecting the nature of halogen bonding interactions from energy decomposition and wavefunction analysis
    Zhong Ai-Guo
    MONATSHEFTE FUR CHEMIE, 2017, 148 (07): : 1259 - 1267
  • [2] Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen Bonding
    Gonthier, Jerome F.
    Thirman, Jonathan
    Head-Gordon, Martin
    CHIMIA, 2018, 72 (04) : 193 - 198
  • [3] Energy decomposition analysis of bonding and nonbonding interactions
    Li, Hui
    Su, Peifeng
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [4] Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis
    Duarte, Dario J. R.
    Sosa, Gladis L.
    Peruchena, Nelida M.
    JOURNAL OF MOLECULAR MODELING, 2013, 19 (05) : 2035 - 2041
  • [5] Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis
    Darío J. R. Duarte
    Gladis L. Sosa
    Nélida M. Peruchena
    Journal of Molecular Modeling, 2013, 19 : 2035 - 2041
  • [6] BLOCK-LOCALIZED WAVEFUNCTION ENERGY DECOMPOSITION (BLW-ED) ANALYSIS OF σ/π INTERACTIONS IN METAL-CARBONYL BONDING
    Nakashima, Kazuhito
    Zhang, Xin
    Xiang, Mingli
    Lin, Yuchun
    Lin, Menghai
    Mo, Yirong
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2008, 7 (04): : 639 - 654
  • [7] The nature of halogen bond in model OC•••XY systems from the energy decomposition analysis perspective
    Fojcik, Lukasz
    Latajka, Zdzislaw
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2021, 1202
  • [8] Energy decomposition analysis of hydrogen-bonding interactions.
    Privett, HK
    Mo, YR
    Gao, JL
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 221 : U220 - U221
  • [9] Free energy decomposition analysis of bonding and nonbonding interactions in solution
    Su, Peifeng
    Liu, Hui
    Wu, Wei
    JOURNAL OF CHEMICAL PHYSICS, 2012, 137 (03):
  • [10] Halogen bonding: An AIM analysis of the weak interactions
    Zou Jian-Wei
    Lu Yun-Xiang
    Yu Qing-Sen
    Zhang Hua-Xin
    Jiang Yong-Jun
    CHINESE JOURNAL OF CHEMISTRY, 2006, 24 (12) : 1709 - 1715