Closo-Boranes, Carboranes, and-silaboranes. A topographical study using electron density and molecular electrostatic potential

被引:0
|
作者
Jennis, E.D.
Subramanian, G.
Srivastava, I.H.
Gadre, S.R.
机构
来源
| 1600年 / 98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] Molecular structure-activity relationship study of some non-steroidal antiinflammatory agents using electrostatic potential mapping
    Mohan, CG
    Mishra, PC
    INDIAN JOURNAL OF BIOCHEMISTRY & BIOPHYSICS, 2000, 37 (04): : 268 - 272
  • [42] Theoretical Probing of Weak Anion-Cation Interactions in Certain Pyridinium-Based Ionic Liquid Ion Pairs and the Application of Molecular Electrostatic Potential in Their Ionic Crystal Density Determination: A Comparative Study Using Density Functional Approach
    Joseph, Aswathy
    Thomas, Vibin Ipe
    Zyla, Gawel
    Padmanabhan, A. S.
    Mathew, Suresh
    JOURNAL OF PHYSICAL CHEMISTRY A, 2018, 122 (01): : 328 - 340
  • [43] Using Molecular Graphics, Molecular Mechanics, Quantum Chemistry and Electrostatic Potential Method to Study Structure-Property Relationship on Pesticides(X) - Study on Internal Rotation Passage in Sulfonylurea Molecule by Molecular Mechanics Method
    Liu, A.-L.
    Cao, W.
    Lai, C.-M.
    Yuan, M.-X.
    Kao Teng Hsueh Hsiao Hua Heush Hsueh Pao/ Chemical Journal of Chinese Universities, 18 (04):
  • [44] Molecular electrostatic potentials and electron densities in nitrocubanes C8H8-α(NO2)α (α=1-8) :: ab initio and density functional study
    Gejji, SP
    Patil, UN
    Dhumal, NR
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 681 (1-3): : 117 - 127
  • [45] MOLECULAR-DYNAMICS STUDY OF HIGH-DENSITY LIQUID WATER USING A MODIFIED CENTRAL-FORCE POTENTIAL
    JANCSO, G
    BOPP, P
    HEINZINGER, K
    CHEMICAL PHYSICS, 1984, 85 (03) : 377 - 387
  • [46] Two mefenamic acid derivatives: structural study using powder X-ray diffraction, Hirshfeld surface and molecular electrostatic potential calculations
    Chatterjee, Paramita
    Dey, Tanusri
    Pal, Sarbani
    Mukherjee, Alok K.
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE-CRYSTALLINE MATERIALS, 2017, 232 (05): : 385 - 394
  • [47] Five benzoic acid derivatives: Crystallographic study using X-ray powder diffraction, electronic structure and molecular electrostatic potential calculation
    Pramanik, Samiran
    Dey, Tanusri
    Mukherjee, Alok Kumar
    JOURNAL OF MOLECULAR STRUCTURE, 2019, 1175 : 185 - 194
  • [48] A Computational Study of Cytotoxicity of Substituted Amides of Pyrazine-2-carboxylic acids Using QSAR and DFT Based Molecular Surface Electrostatic Potential
    Hosseini, Sharieh
    Monajjemi, Majid
    Rajaeian, Elahe
    Haghgu, Mohammad
    Salari, Aliakbar
    Gholami, Mohammad Reza
    IRANIAN JOURNAL OF PHARMACEUTICAL RESEARCH, 2013, 12 (04): : 745 - 750
  • [49] Using molecular graphics, molecular mechanics, quantum chemistry and electrostatic potential method to study structure-property relationship on pesticides .10. Study on internal rotation passage in sulfonylurea molecule by molecular mechanics method
    Liu, AL
    Cao, W
    Lai, CM
    Yuan, MX
    Zhang, JP
    Lin, SF
    Li, ZM
    CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 1997, 18 (04): : 574 - 576
  • [50] A molecular electron density theory study of the Lewis acid-catalyzed decomposition reaction of nitroethyl benzoate using aluminum derivatives
    Kacka-Zych, Agnieszka
    Rios-Gutierrez, Mar
    Domingo, Luis R.
    JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 32 (06)