SOME CNDO/S PARAMETERIZED CALCULATIONS OF INTRAMOLECULAR EFFECTS ON NUCLEAR SHIELDING

被引：9
|
作者：
HAMDI, BT [1 ]
REYNOLDS, DJ [1 ]
WEBB, GA [1 ]
机构：
[1] UNIV SURREY,DEPT CHEM,GUILDFORD GU2 5XH,SURREY,ENGLAND
来源：
ORGANIC MAGNETIC RESONANCE | 1984年 / 22卷 / 02期
关键词：
D O I：
10.1002/mrc.1270220207
中图分类号：
O65 [分析化学];
学科分类号：
070302 ; 081704 ;
摘要：
引用
收藏
页码：90 / 92
页数：3
相关论文
共 50 条
  • [21] The effects of intramolecular and intermolecular coordination on 31P nuclear shielding: phosphorylated azoles
    Chernyshev, Kirill A.
    Larina, Ludmila I.
    Chirkina, Elena A.
    Krivdin, Leonid B.
    MAGNETIC RESONANCE IN CHEMISTRY, 2012, 50 (02) : 120 - 127
  • [22] Calculations of nuclear magnetic shielding in paramagnetic molecules
    Rinkevicius, Z
    Vaara, J
    Telyatnyk, L
    Vahtras, O
    JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (06): : 2550 - 2561
  • [23] CNDO-S CALCULATIONS OF PHOTOELECTRON-SPECTRA
    ELLIS, RL
    JAFFE, HH
    MASMANID.CA
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1974, : 45 - 45
  • [24] ABINITIO C-13 NUCLEAR SHIELDING CALCULATIONS FOR SOME HYDROCARBONS USING THE GIAO PROCEDURE
    KUROSU, H
    WEBB, GA
    ANDO, I
    MAGNETIC RESONANCE IN CHEMISTRY, 1992, 30 (11) : 1122 - 1124
  • [25] CNDO/S-CI CALCULATIONS OF SOME CARBONYL-CONTAINING ORGANIC LUMINOPHORES WITH A STILBENE SUBCHROMOPHORE
    OLBRICH, G
    NIKOLOV, P
    FRATEV, F
    POLANSKY, OE
    ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1985, 40 (08): : 859 - 863
  • [26] On the calculations of the nuclear shielding constants in small water clusters
    Cybulski, H
    Sadlej, J
    CHEMICAL PHYSICS, 2006, 323 (2-3) : 218 - 230
  • [27] Nuclear shielding calculations on the primary structure of the gellan polysaccharide
    Wilson, PJ
    Howlin, BJ
    Webb, GA
    JOURNAL OF MOLECULAR STRUCTURE, 1996, 385 (03) : 185 - 193
  • [28] Nuclear shielding calculations on the primary structure of the gellan polysaccharide
    Wilson, P. J.
    Howlin, B. J.
    Webb, G. A.
    Journal of Molecular Structure, 385 (03):
  • [29] SOME NUCLEAR MATTER CALCULATIONS
    KOHLER, HS
    NUCLEAR PHYSICS A, 1969, A128 (01) : 273 - &
  • [30] ISOTOPE EFFECTS IN NUCLEAR SHIELDING
    HANSEN, PE
    PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 1988, 20 : 207 - 255
12345