学术探索
学术期刊
新闻热点
数据分析
智能评审

Ab initio methods for the calculation of NMR shielding and indirect spin-spin coupling constants

被引：1291
作者：
Helgaker, T
Jaszunski, M
Ruud, K
机构：
[1] Polish Acad Sci, Inst Organ Chem, PL-01224 Warsaw, Poland
[2] Univ Oslo, Dept Chem, N-0315 Oslo, Norway
来源：
CHEMICAL REVIEWS | 1999年 / 99卷 / 01期
关键词：
D O I：
10.1021/cr960017t
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
[No abstract available]
引用
收藏
页码：293 / 352
页数：60
相关论文
共 377 条
  • [1] Abragam A., 2002, PRINCIPLES NUCL MAGN
  • [2] NUCLEAR MAGNETIC-RESONANCE STUDIES .7. C-13 AND N-15 NMR OF DIAZO-COMPOUNDS
    ALBRIGHT, TA
    FREEMAN, WJ
    [J]. ORGANIC MAGNETIC RESONANCE, 1977, 9 (02): : 75 - 79
  • [3] 2ND-ORDER PERTURBATION-THEORY WITH A COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD REFERENCE FUNCTION
    ANDERSSON, K
    MALMQVIST, PA
    ROOS, BO
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (02) : 1218 - 1226
  • [4] 2ND-ORDER PERTURBATION-THEORY WITH A CASSCF REFERENCE FUNCTION
    ANDERSSON, K
    MALMQVIST, PA
    ROOS, BO
    SADLEJ, AJ
    WOLINSKI, K
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (14) : 5483 - 5488
  • [5] NMR RELAXATION BY THE ANTISYMMETRIC COMPONENT OF THE SHIELDING TENSOR - A LONGER TRANSVERSE THAN LONGITUDINAL RELAXATION-TIME
    ANET, FAL
    OLEARY, DJ
    WADE, CG
    JOHNSON, RD
    [J]. CHEMICAL PHYSICS LETTERS, 1990, 171 (5-6) : 401 - 405
  • [6] [Anonymous], METHODS TECHNIQUES C
  • [7] [Anonymous], 1992, Methods of Molecular Quantum Mechanics
  • [8] [Anonymous], 1971, APPROXIMATE ATOMIC F
  • [9] CHEMICAL SHIELDING TENSER OF A CARBENE
    ARDUENGO, AJ
    DIXON, DA
    KUMASHIRO, KK
    LEE, C
    POWER, WP
    ZILM, KW
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (14) : 6361 - 6367
  • [10] Solvent effects on nuclear shieldings and spin-spin couplings of hydrogen selenide
    Åstrand, PO
    Mikkelsen, KV
    Jorgensen, P
    Ruud, K
    Helgaker, T
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (06) : 2528 - 2537
12345678910