MAGNETIC SHIELDING AND SHIELDING ANISOTROPIES BY SEMIEMPIRICAL MOLECULAR-ORBITAL THEORY .1. INCLUSION OF 2-CENTER INTEGRALS OF TYPE (-PHI-B-THETA-A-PHI-B)

被引：30
作者：
BARFIELD, M
GRANT, DM
机构：
[1] UNIV ARIZONA,DEPT CHEM,TUCSON,AZ 85721
[2] UNIV UTAH,DEPT CHEM,SALT LAKE CITY,UT 84112
来源：
JOURNAL OF CHEMICAL PHYSICS | 1977年 / 67卷 / 07期
关键词：
D O I：
10.1063/1.435252
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：3322 / 3329
页数：8
相关论文
共 61 条
[1]   CARBON-13 MAGNETIC RESONANCE .6. THEORY OF CARBON-13 MAGNETIC RESONANCE SHIFTS IN AROMATIC MOLECULES [J].
ALGER, TD ;
GRANT, DM ;
PAUL, EG .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1966, 88 (23) :5397-&
[2]   THEORETICAL CALCULATION OF C-13 CHEMICAL-SHIFTS OF SOME NORMAL ALKANES BY LINEAR COMBINATION OF GAUGE INVARIANT ATOMIC ORBITALS MOLECULAR ORBITAL THEORY USING INDO AND MINDO/2 METHODS [J].
ANDO, I ;
NISHIOKA, A ;
KONDO, M .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1974, 47 (05) :1097-1104
[3]   THEORETICAL CALCULATION OF C-13 CHEMICAL SHIELDING ANISOTROPY IN SOME ORGANIC COMPOUNDS [J].
ANDO, I ;
NISHIOKA, A ;
KONDO, M .
CHEMICAL PHYSICS LETTERS, 1974, 25 (02) :212-214
[4]   THEORETICAL CALCULATION OF C-13 CHEMICAL SHIELDING ANISOTROPY IN SOME ORGANIC COMPOUNDS .2. [J].
ANDO, I ;
NISHIOKA, A .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1975, 48 (03) :841-843
[5]  
Appleman B. R., 1974, ADV MAG RESONANCE, V7, P231, DOI DOI 10.1016/B978-0-12-025507-8.50010-3
[6]  
BARFIELD M, 1971, J CHEM PHYS, V55, P4682, DOI 10.1063/1.1676828
[7]   ANISOTROPY OF C-13 AND PROTON HYPERFINE COUPLING CONSTANTS IN ORGANIC RADICALS [J].
BARFIELD, M .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (10) :3836-&
[8]  
Bene J. D., 1968, J CHEM PHYS, V48, P1807, DOI [10.1063/1.1668915, DOI 10.1063/1.1668915]
[9]   BEAM MASER MEASUREMENTS OF HYPERFINE-STRUCTURE IN N-14(2)O [J].
CASLETON, KH ;
KUKOLICH, SG .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (07) :2696-2699
[10]   CARBON-13 MAGNETIC RESONANCE .8. THEORY OF CARBON-13 CHEMICAL SHIFTS APPLIED TO SATURATED HYDROCARBONS [J].
CHENEY, BV ;
GRANT, DM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (21) :5319-&
1234567