CALCULATIONS OF NUCLEAR ELECTRIC SHIELDING IN MOLECULES

被引:33
|
作者
LAZZERETTI, P [1 ]
ZANASI, R [1 ]
机构
[1] UNIV MODENA,CTR CALCOLO ELETTRON,I-41100 MODENA,ITALY
关键词
D O I
10.1016/0009-2614(80)80218-1
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
引用
收藏
页码:529 / 533
页数:5
相关论文
共 50 条
  • [1] THEORY OF NUCLEAR ELECTRIC SHIELDING IN MOLECULES
    LAZZERETTI, P
    ZANASI, R
    PHYSICAL REVIEW A, 1981, 24 (04): : 1696 - 1704
  • [2] 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
  • [3] LCAO X-ALPHA CALCULATIONS OF NUCLEAR MAGNETIC SHIELDING IN MOLECULES
    BIEGER, W
    SEIFERT, G
    ESCHRIG, H
    GROSSMANN, G
    CHEMICAL PHYSICS LETTERS, 1985, 115 (03) : 275 - 280
  • [4] Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules
    Ferraro, M. B.
    Caputo, M. C.
    Pagola, G. I.
    Lazzeretti, P.
    JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (04):
  • [5] NUCLEAR MAGNETIC SHIELDING IN MOLECULES - THE APPLICATION OF GIAOS IN LCAO-X-ALPHA-CALCULATIONS
    FRIEDRICH, K
    SEIFERT, G
    GROSSMANN, G
    ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS, 1990, 17 (01): : 45 - 46
  • [6] Influence of Solvent Representation on Nuclear Shielding Calculations of Protonation States of Small Biological Molecules
    Roggatz, Christina C.
    Lorch, Mark
    Benoit, David M.
    JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2018, 14 (05) : 2684 - 2695
  • [7] Recent Advances in Nuclear Shielding Calculations
    de Dios, Angel C.
    Jameson, Cynthia J.
    ANNUAL REPORTS ON NMR SPECTROSCOPY, VOL 77, 2012, 77 : 1 - 80
  • [8] ANALYTIC DIPOLE-MOMENT GEOMETRIC DERIVATIVES FROM NUCLEAR ELECTRIC SHIELDING IN MOLECULES
    LAZZERETTI, P
    ZANASI, R
    JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (07): : 3916 - 3920
  • [9] Measurements of Nuclear Magnetic Shielding in Molecules
    Jackowski, Karol
    Wilczek, Marcin
    MOLECULES, 2024, 29 (11):
  • [10] NUCLEAR MAGNETIC SHIELDING IN MOLECULES - HYDROGEN MOLECULE
    SINHA, SK
    MUKHERJI, A
    JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (06): : 1652 - 1656