ABINITIO SOS CI CALCULATIONS OF THE EFFECT OF INTERNAL-ROTATION ON THE NMR PARAMETERS OF H2O2

被引：2

作者：

GALASSO, V

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1984年 / 108卷 / 05期

关键词：

D O I：

10.1016/0009-2614(84)85174-X

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：435 / 438

页数：4

共 20 条

[1] KINETICS OF HYDROGEN EXCHANGE BETWEEN HYDROGEN PEROXIDE AND WATER STUDIED BY PROTON MAGNETIC RESONANCE [J].

ANBAR, M ;

LOEWENSTEIN, A ;

MEIBOOM, S .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1958, 80 (11) :2630-2634

[2] CHEMISCHE VERSCHIEBUNGEN IN DER KERNMAGNETISCHEN RESONANZ VON 17O IN ORGANISCHEN VERBINDUNGEN [J].

CHRIST, HA ;

DIEHL, P ;

SCHNEIDE.HR ;

DAHN, H .

HELVETICA CHIMICA ACTA, 1961, 44 (03) :865-&

[3] O-17 NMR - J-2(O-17)H-1 COUPLING-CONSTANTS BY LINE-SHAPE ANALYSIS [J].

DELSETH, C ;

KINTZINGER, JP ;

NGUYEN, TTT ;

NIEDERBERGER, W .

ORGANIC MAGNETIC RESONANCE, 1978, 11 (01) :38-39

[4] 17O NMR SHIFTS IN H217O LIQUID AND VAPOR [J].

FLORIN, AE ;

ALEI, M .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (10) :4268-&

[5] CALCULATION OF NMR CHEMICAL-SHIFTS .2. COMPARISON OF THE SOS AND FP METHODS [J].

FUKUI, H ;

YOSHIDA, H ;

MIURA, K .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (12) :6988-6989

[6] ABINITIO SOS-CI CALCULATIONS OF MAGNETIC-PROPERTIES OF THE 1ST-ROW AND 2ND-ROW HYDRIDES [J].

GALASSO, V .

THEORETICA CHIMICA ACTA, 1983, 63 (01) :35-41

[7]

GALASSO V, 1983, J MOL STRUC-THEOCHEM, V93, P201

[8] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[9]

KHACHKUR.GA, 1974, OPT SPEKTROSK+, V36, P299

[10]

KINTZINGER JP, 1981, NMR BASIC PRINCIPLES, V17

← 1 2 →