CALCULATIONS OF PROTON MAGNETIC SHIELDING CONSTANTS IN POLYATOMIC-MOLECULES

被引：38

作者：

LAZZERETTI, P

ZANASI, R

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1978年 / 68卷 / 03期

关键词：

D O I：

10.1063/1.435816

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

页码：832 / 839

页数：8

共 51 条

[11]

DAVIES DW, 1967, THEORY ELECTRIC MAGN, P176

[12] AB-INITIO COMPUTATION OF SOME MAGNETIC-PROPERTIES AND THEIR VARIATION WITH AN ELECTRIC-FIELD - HYDROGEN-FLUORIDE MOLECULE [J].

DAY, B ;

BUCKINGHAM, AD .

MOLECULAR PHYSICS, 1976, 32 (02) :343-351

[13] 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-+

[14] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .7. CONVERGENCE OF GAUSSIAN EXPANSIONS OF SLATER-TYPE ATOMIC ORBITALS IN CALCULATIONS OF FIRST-ORDER AND SECOND-ORDER PROPERTIES [J].

DITCHFIELD, R ;

MILLER, DP ;

POPLE, JA .

JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) :613-+

[15] Molecular orbital theory of carbon NMR chemical shifts [J].

Ditchfield, R. ;

Miller, D. P. ;

Pople, J. A. .

CHEMICAL PHYSICS LETTERS, 1970, 6 (06) :573-575

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

DITCHFIELD, R .

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

[17] THEORETICAL STUDIES OF MAGNETIC SHIELDING IN H2O AND (H2O)2 [J].

DITCHFIELD, R .

JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (08) :3123-3133

[18] SELF-CONSISTENT PERTURBATION-THEORY OF DIAMAGNETISM .1. GAUGE-INVARIANT LCAO METHOD FOR NMR CHEMICAL-SHIFTS [J].

DITCHFIELD, R .

MOLECULAR PHYSICS, 1974, 27 (04) :789-807

[19] MOLECULAR-ORBITAL THEORIES OF NMR CHEMICAL-SHIFTS [J].

DITCHFIELD, R .

CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :203-+

[20] MOLECULAR-ORBITAL STUDIES OF NMR HYDROGEN-BOND SHIFT [J].

DITCHFIELD, R ;

MCKINNEY, RE .

CHEMICAL PHYSICS, 1976, 13 (03) :187-194

← 1 2 3 4 5 6 →