Topological analysis of the molecular charge density and impact sensitivy models of energetic molecules

被引：0
|
作者：
Departamento de Química, Instituto Militar de Engenharia, Praça General Tibúrcio, 80, Rio de Janeiro RJ 22290-270, Brazil [1 ]
机构：
来源：
J Phys Chem A | 1600年 / 32卷 / 9055-9068期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Carrier concentration
引用
收藏
相关论文
共 50 条
  • [1] Topological Analysis of the Molecular Charge Density and Impact Sensitivy Models of Energetic Molecules
    Anders, Gilberto
    Borges, Itamar, Jr.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (32): : 9055 - 9068
  • [2] A numerical method for the topological analysis of the Laplacian of the electronic charge density in molecules and solids
    Aray, Y
    Rodriguez, J
    LopezBoada, R
    JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (11): : 2178 - 2184
  • [3] Exploring the bond topological properties and the charge depletion-impact sensitivity relationship of high energetic TNT molecule via theoretical charge density analysis
    Stephen, Arputharaj David
    Pawar, Rajesh B.
    Kumaradhas, Poomani
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 959 (1-3): : 55 - 61
  • [4] CHARGE DENSITY AND TOPOLOGICAL PROPERTIES OF LARGER MOLECULES OF BIOLOGICAL INTEREST
    Luger, P.
    Bach, A.
    Dittrich, B.
    Messerschmidt, M.
    Wagner, A.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 : C351 - C351
  • [5] Charge density and topological analysis of pentafluorobenzoic acid
    Bach, A
    Lentz, D
    Luger, P
    JOURNAL OF PHYSICAL CHEMISTRY A, 2001, 105 (31): : 7405 - 7412
  • [6] Molecular charge density analysis
    Hinze, J
    BieglerKonig, F
    Lowe, AG
    CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1996, 74 (06): : 1049 - 1053
  • [7] TOPOLOGICAL ANALYSIS OF THE CURRENT-DENSITY FIELD IN MOLECULES
    GOMES, JANF
    JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1983, 10 : 111 - 127
  • [8] Charge density and topological analysis of L-glutamine
    Wagner, A
    Luger, P
    JOURNAL OF MOLECULAR STRUCTURE, 2001, 595 (1-3) : 39 - 46
  • [9] TOPOLOGICAL ANALYSIS OF THE CHARGE DENSITY IN SHORT HYDROGEN BONDS
    Overgaard, Jacob
    Madsen, Georg K. H.
    Iversen, Bo B.
    Larsen, Finn K.
    McIntyre, Garry I.
    Schultz, Arthur J.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 1999, 55 : 39 - 39
  • [10] TOPOLOGICAL ANALYSIS OF CHARGE-DENSITY IN IONIC SOLIDS
    SOUSA, C
    ILLAS, F
    BO, C
    POBLET, JM
    CHEMICAL PHYSICS LETTERS, 1993, 215 (1-3) : 97 - 102
12345