INDO CALCULATION OF C-13 CHEMICAL-SHIFTS BY FINITE PERTURBATION METHOD

被引：15

作者：

FUKUI, H ^{[1
]}

机构：

[1] KITAMI INST TECHNOL, 165 KOENCHO, KITAMI 090, JAPAN

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 1974年 / 47卷 / 03期

关键词：

D O I：

10.1246/bcsj.47.751

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：751 / 752

页数：2

共 9 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] SELF-CONSISTENT MOLECULAR ORBITAL METHODS .11. MOLECULAR ORBITAL THEORY OF NMR CHEMICAL SHIFTS [J].

DITCHFIELD, R ;

MILLER, DP ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (10) :4186-+

[3] MOLECULAR-ORBITAL THEORY OF MAGNETIC SHIELDING AND MAGNETIC SUSCEPTIBILITY [J].

DITCHFIELD, R .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (11) :5688-+

[4] INDO PERTURBATION-THEORY OF MAGNETIC SHIELDING CONSTANTS - C-13 CHEMICAL-SHIFTS [J].

ELLIS, PD ;

MCIVER, JW ;

MACIEL, GE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (12) :4069-&

[5] THEORY OF LOCALIZED CONTRIBUTIONS TO CHEMICAL SHIFT - APPLICATION TO FLUOROBENZENES [J].

KARPLUS, M ;

DAS, TP .

JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (05) :1683-&

[6] THEORY OF CARBON NMR CHEMICAL SHIFTS IN CONJUGATED MOLECULES [J].

KARPLUS, M ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (12) :2803-&

[7] ELECTRONEGATIVE ATOMS IN INDO PERTURBATION-THEORY OF C-13 CHEMICAL-SHIFTS [J].

MACIEL, GE ;

DALLAS, JL ;

ELLIOTT, RL ;

DORN, HC .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (18) :5857-5862

[8] SELF-CONSISTENT PERTURBATION THEORY .I. FINITEPERTURBATION METHODS [J].

POPLE, JA ;

MCIVER, JW ;

OSTLUND, NS .

JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (07) :2960-+

[9] THEORY OF CARBON CHEMICAL SHIFTS IN N M R [J].

POPLE, JA .

MOLECULAR PHYSICS, 1964, 7 (04) :301-+

← 1 →