Ab initio calculation of the CIOCCOCI molecule

被引：0
|
作者：
V. P. Feshin
M. Yu. Konshin
机构：
[1] Russian Academy of Sciences,Institute of Technical Chemistry, Ural Branch
来源：
Journal of Structural Chemistry | 1997年 / 38卷
关键词：
Diffuse Component; Quadrupole Coupling Constant; Local Energy Minimum; Orbital Size; Nuclear Quadrupole Coupling Constant;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
页码：313 / 317
页数：4
相关论文
共 50 条
  • [21] AN INTERPRETATION OF NUCLEAR QUADRUPOLE COUPLING CONSTANT FOR HCL MOLECULE ON BASIS OF AN AB INITIO CALCULATION
    SCROCCO, E
    TOMASI, J
    THEORETICA CHIMICA ACTA, 1964, 2 (05): : 386 - &
  • [22] ab initio calculation of capacitance of nanostructures
    Watanabe, K
    Watanabe, S
    Tanaka, M
    Nakaoka, N
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS BRIEF COMMUNICATIONS & REVIEW PAPERS, 2005, 44 (7B): : 5348 - 5353
  • [23] Ab initio Calculation for Photochemistry of Psoralens
    Kim, Ja Hong
    Kwon, O. Hyung
    JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE, 2009, 53 (03): : 244 - 256
  • [24] Ab initio calculation of capacitance of nanostructures
    Watanabe, Kazuyuki
    Watanabe, Satoshi
    Tanaka, Michiko
    Nakaoka, Noriyuki
    Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 2005, 44 (7 B): : 5348 - 5353
  • [25] Ab Initio Calculation of the Hoyle State
    Epelbaum, Evgeny
    Krebs, Hermann
    Lee, Dean
    Meissner, Ulf-G.
    PHYSICAL REVIEW LETTERS, 2011, 106 (19)
  • [26] Ab Initio Calculation of Molecular Diffraction
    Northey, Thomas
    Zotev, Nikola
    Kirrander, Adam
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2014, 10 (11) : 4911 - 4920
  • [27] Ab initio calculation of SiC polytypes
    Jiang, ZY
    Xu, XH
    Wu, HS
    Zhang, FQ
    Jin, ZH
    SOLID STATE COMMUNICATIONS, 2002, 123 (6-7) : 263 - 266
  • [28] Ab initio calculation of excitons in ZnO
    Laskowski, R
    Christensen, NE
    PHYSICAL REVIEW B, 2006, 73 (04)
  • [29] Ab initio calculation of the pleochroism of fayalite
    Krasovska, OV
    Winkler, B
    Krasovskii, EE
    Yaresko, AN
    Antonov, VN
    Langer, N
    AMERICAN MINERALOGIST, 1997, 82 (7-8) : 672 - 676
  • [30] Ab initio calculation of inelastic scattering
    Carrascosa, Andres Moreno
    Kirrander, Adam
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (30) : 19545 - 19553
12345