Euclidean inverses for the characterization of three-dimensional molecular structures

被引：2
|
作者：
Balasubramanian, K
Sun, HM
机构：
[1] Dept. of Chemistry and Biochemistry, Arizona State University, Tempe
来源：
CHEMICAL PHYSICS LETTERS | 1997年 / 264卷 / 1-2期
关键词：
D O I：
10.1016/S0009-2614(96)01316-4
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
A new technique is formulated using inverses of Euclidean distance matrices of molecular structures for the characterization of the three-dimensional molecular geometries. It is shown that the inverse powers can be used to partition the nuclei into equivalence classes that reflect the true geometry of the molecule. Applications to NMR and ESR spectroscopy are considered.
引用
下载
收藏
页码：70 / 79
页数：10
相关论文
共 50 条
  • [11] Optical characterization and lasing in three-dimensional opal-structures
    Nishijima, Yoshiaki
    Juodkazis, Saulius
    FRONTIERS IN MATERIALS, 2015, 2
  • [12] Optical characterization of three-dimensional structures within a DRAM capacitor
    Krupinski, Martin
    Kasic, Alexander
    Hecht, Thomas
    Klude, Matthias
    Heitmann, Johannes
    Erben, Elke
    Mikolajick, Thomas
    OPTICAL MEASUREMENT SYSTEMS FOR INDUSTRIAL INSPECTION VII, 2011, 8082
  • [13] Statistical mechanics of the three-dimensional Euclidean black hole
    Carlip, S.
    1997, (55):
  • [14] An Evolutionary Structure of Pyramids in the Three-Dimensional Euclidean Space
    Zachos, Anastasios
    Zouzoulas, Gerasimos
    JOURNAL OF CONVEX ANALYSIS, 2011, 18 (03) : 833 - 853
  • [15] Statistical mechanics of the three-dimensional Euclidean black hole
    Carlip, S
    PHYSICAL REVIEW D, 1997, 55 (02): : 878 - 882
  • [16] Simultaneous packing and covering in three-dimensional euclidean space
    Zong, CM
    JOURNAL OF THE LONDON MATHEMATICAL SOCIETY-SECOND SERIES, 2003, 67 : 29 - 40
  • [17] Special theory of relativity in a three-dimensional Euclidean space
    Sorli, Amrit
    Fiscaletti, Davide
    PHYSICS ESSAYS, 2012, 25 (01) : 141 - 143
  • [18] Three-dimensional structures of gonadotropins
    Lustbader, JW
    Pollak, S
    Lobel, L
    Trakht, I
    Homans, S
    Brown, JM
    Canfield, RE
    MOLECULAR AND CELLULAR ENDOCRINOLOGY, 1996, 125 (1-2) : 21 - 31
  • [19] Three-dimensional structures of laccases
    N. Hakulinen
    J. Rouvinen
    Cellular and Molecular Life Sciences, 2015, 72 : 857 - 868
  • [20] Three-dimensional structures of laccases
    Hakulinen, N.
    Rouvinen, J.
    CELLULAR AND MOLECULAR LIFE SCIENCES, 2015, 72 (05) : 857 - 868
12345