GAUGE-INVARIANT CALCULATION OF DIAMAGNETISM AND CHEMICAL-SHIFT .3. INCREMENTARY CALCULATION OF THE SUSCEPTIBILITY TENSOR AND SHIELDING TENSOR OF PROTONS AND C-13-NUCLEI OF POLYATOMIC-MOLECULES BASED ON A SEMI-CLASSICAL MODEL

被引：7

作者：

STERNBERG, U

SALZER, K

PFEIFER, H

HABERDITZL, W

机构：

[1] HUMBOLDT UNIV,LEHRSTUHL THEORET CHEM,SEKT CHEM,DDR-104 BERLIN,GER DEM REP

[2] KARL MARX UNIV,NMR LABOR,SEKT PHYS,DDR-701 LEIPZIG,GER DEM REP

来源：

MONATSHEFTE FUR CHEMIE | 1980年 / 111卷 / 02期

关键词：

D O I：

10.1007/BF00903247

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

引用

页码：505 / 516

页数：12

共 26 条

[1]

Appleman B. R., 1974, ADV MAG RESONANCE, V7, P231, DOI DOI 10.1016/B978-0-12-025507-8.50010-3

[2] DIAMAGNETIC SUSCEPTIBILITIES OF SIMPLE HYDROCARBONS AND VOLATILE HYDRIDES [J].

BARTER, C ;

MEISENHEIMER, RG ;

STEVENSON, DP .

JOURNAL OF PHYSICAL CHEMISTRY, 1960, 64 (09) :1312-1316

[3]

CEDERBERG JW, 1964, PHYS REV A, V136, P960

[4] 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-+

[5] 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

[6]

HABERDITZL W, 1964, NEUES DIAMAGNETISMUS, P56

[7]

HABERDITZL W, 1976, THEORY APPLICATIONS, P70

[8]

HABERDITZL W, 1968, MAGNETOCHEMIE WTB RE

[9] CALCULATION OF THE MAGNETIC SUSCEPTIBILITY OF METHANE [J].

HAMEKA, HF .

PHYSICA, 1959, 25 (07) :626-630

[10] MOLECULAR ZEEMAN EFFECT IN HCP, HCN, AND HCCBR AND A COMPARISON WITH SIMILAR MOLECULES [J].

HARTFORD, SL ;

ALLEN, WC ;

NORRIS, CL ;

PEARSON, EF ;

FLYGARE, WH .

CHEMICAL PHYSICS LETTERS, 1973, 18 (02) :153-157

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