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 20 条
[1]   SEMIEMPIRICAL CALCULATIONS OF CHEMICAL-SHIFTS OF NUCLEI OTHER THAN PROTONS [J].
EBRAHEEM, KAK ;
WEBB, GA .
PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY, 1977, 11 :149-181
[2]   CALCULATION OF DIAMAGNETIC COMPONENT OF NUCLEAR SCREENING CONSTANT FOR C, N, O AND F [J].
EBRAHEEM, KAK ;
WEBB, GA ;
WITANOWSKI, M .
ORGANIC MAGNETIC RESONANCE, 1976, 8 (06) :317-320
[3]   DEPENDENCE OF F-19 CHEMICAL SHIELDING ON INTERNAL COORDINATES IN CF4, SIF4, AND BF3 [J].
JAMESON, CJ .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (06) :2814-2820
[4]   EFFECTS OF INTER-MOLECULAR INTERACTIONS AND INTRA-MOLECULAR DYNAMICS ON NUCLEAR-RESONANCE IN NF3, PF3, POF3, AND PF5 [J].
JAMESON, CJ ;
JAMESON, AK ;
WILLE, S .
JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (26) :3372-3378
[5]   TEMPERATURE-DEPENDENCE OF THE N-15 AND H-1 NUCLEAR MAGNETIC SHIELDING IN NH3 [J].
JAMESON, CJ ;
JAMESON, AK ;
COHEN, SM ;
PARKER, H ;
OPPUSUNGGU, D ;
BURRELL, PM ;
WILLE, S .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) :1608-1612
[6]   VARIATION OF CHEMICAL SHIELDING WITH INTERNAL COORDINATES - APPLICATIONS TO DIATOMIC-MOLECULES [J].
JAMESON, CJ .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (11) :4977-4982
[7]  
JAMESON CJ, 1981, B MAGN RESON, V3, P3
[8]   SOME INDO S-SOS CALCULATIONS OF THE EFFECTS OF HYDROGEN-BONDING ON THE NITROGEN SHIELDING OF SOME HETEROCYCLES [J].
LAMPHUN, BN ;
WEBB, GA ;
WITANOWSKI, M .
ORGANIC MAGNETIC RESONANCE, 1983, 21 (08) :501-504
[9]  
LAMPHUN BN, 1983, ORG MAGN RESON, V21, P399
[10]  
LETCHER JH, 1967, TOPICS PHOSPHORUS CH, V5, P75