APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY OF NUCLEAR SPIN COUPLING .1. DIRECTLY BONDED CARBON-HYDROGEN COUPLING CONSTANTS

被引：222
作者：
MACIEL, GE
MCIVER, JW
OSTLUND, NS
POPLE, JA
机构：
来源：
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1970年 / 92卷 / 01期
关键词：
D O I：
10.1021/ja00704a001
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：1 / &
相关论文
共 48 条
[1]   VALENCE-BOND STUDIES OF CONTACT NUCLEAR SPIN-SPIN COUPLING .I. A TRUNCATED MATRIX SUM METHOD [J].
BARFIELD, M .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (10) :4458-&
[2]   VALENCE-BOND STUDIES OF CONTACT NUCLEAR SPIN-SPIN COUPLING .2. LONG-RANGE PI-ELECTRON COUPLING BETWEEN PROTONS [J].
BARFIELD, M .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (10) :4463-&
[3]  
BARFIELD M, 1965, ADV MAGNETIC RESONAN, V1, P168
[4]   VARIATION OF S CHARACTER AND OF AVERAGE EXCITATION ENERGY IN NMR 13C-H COUPLING CONSTANTS [J].
CYR, N ;
CYR, TJR .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) :3082-&
[5]   EFFECT OF SUBSTITUENTS ON METHANE 13C-H AND SILANE 29SI-H COUPLING CONSTANTS [J].
DITCHFIELD, R ;
JENSEN, MA ;
MURRELL, JN .
JOURNAL OF THE CHEMICAL SOCIETY A -INORGANIC PHYSICAL THEORETICAL, 1967, (10) :1674-+
[6]   NUCLEAR MAGNETIC RESONANCE SPECTRA OF SOME SUBSTITUTED METHANES [J].
FRANKISS, SG .
JOURNAL OF PHYSICAL CHEMISTRY, 1963, 67 (04) :752-&
[7]   CARBON-CARBON SPIN-COUPLING CONSTANTS IN CHARACTERISTIC CC-BOND TYPES [J].
FREI, K ;
BERNSTEIN, HJ .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (05) :1216-&
[8]   EMPIRICAL METHOD FOR ESTIMATING DIAMAGNETIC ANISOTROPY EFFECTS IN NMR SPECTROSCOPY, BASED UPON USE OF C13-H COUPLING CONSTANTS [J].
GOLDSTEIN, JH ;
REDDY, GS .
JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (10) :2644-&
[9]   NUCLEAR SPIN-SPIN COUPLING IN C13-ENRICHED ACETYLENE, ETHYLENE, AND ETHANE [J].
GRAHAM, DM ;
HOLLOWAY, CE .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1963, 41 (08) :2114-&
[10]   DEPENDENCE OF DIRECTLY BONDED COUPLING CONSTANTS UPON EFFECTIVE NUCLEAR CHARGE [J].
GRANT, DM ;
LITCHMAN, WM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1965, 87 (17) :3994-&
12345