ABINITIO CALCULATION OF MAGNETIC-PROPERTIES OF CO, THE EQUILIBRIUM GEOMETRY AND THE C-13, O-17 AND AL-27 NMR SHIELDING TENSORS OF THE SYSTEM AL+/CO

被引：24

作者：

WELLER, T

MEILER, W

KOHLER, HJ

LISCHKA, H

HOLLER, R

机构：

[1] KARL MARX UNIV,ORZ,DDR-7010 LEIPZIG,GER DEM REP

[2] VIENNA UNIV,INST THEORET & STRAHLENCHEM,A-1090 VIENNA,AUSTRIA

来源：

CHEMICAL PHYSICS LETTERS | 1983年 / 98卷 / 06期

关键词：

D O I：

10.1016/0009-2614(83)80237-1

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：541 / 544

页数：4

共 16 条

[1]

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

[2] MOLECULAR SYMMETRY .2. GRADIENT OF ELECTRONIC-ENERGY WITH RESPECT TO NUCLEAR COORDINATES [J].

DUPUIS, M ;

KING, HF .

JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (09) :3998-4004

[3] ANISOTROPY OF CHEMICAL-SHIFT TENSOR FOR SOLID CARBON-MONOXIDE [J].

GIBSON, AAV ;

SCOTT, TA ;

FUKUSHIMA, E .

JOURNAL OF MAGNETIC RESONANCE, 1977, 27 (01) :29-33

[4] COUPLED-HARTREE-FOCK CALCULATIONS OF SUSCEPTIBILITIES AND MAGNETIC SHIELDING CONSTANTS .2. THE 2ND ROW HYDRIDES NAH, MGH2, ALH3, SIH4, PH3, H2S AND HCL [J].

HOLLER, R ;

LISCHKA, H .

MOLECULAR PHYSICS, 1980, 41 (05) :1041-1050

[5] COUPLED-HARTREE-FOCK CALCULATIONS OF SUSCEPTIBILITIES AND MAGNETIC SHIELDING CONSTANTS .1. THE 1ST ROW HYDRIDES LIH, BEH2, BH3, CH4, NH3, H2O AND HF, AND THE HYDROCARBONS C2H2, C2H4 AND C2H6 [J].

HOLLER, R ;

LISCHKA, H .

MOLECULAR PHYSICS, 1980, 41 (05) :1017-1040

[6] VARIATION OF CHEMICAL SHIELDING WITH INTERMOLECULAR INTERACTION AND ROVIBRATIONAL MOTION .5. N-15 IN N2 [J].

JAMESON, CJ ;

JAMESON, AK ;

WILLE, S ;

BURRELL, PM .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (02) :853-856

[7] NUMERICAL-INTEGRATION USING RYS POLYNOMIALS [J].

KING, HF ;

DUPUIS, M .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 21 (02) :144-165

[8] ELECTRIC AND MAGNETIC-PROPERTIES OF CARBON-MONOXIDE BY MOLECULAR-BEAM ELECTRIC-RESONANCE SPECTROSCOPY [J].

MEERTS, WL ;

DELEEUW, FH ;

DYMANUS, A .

CHEMICAL PHYSICS, 1977, 22 (02) :319-324

[9] C-13 NMR INVESTIGATIONS OF CARBON-MONOXIDE ADSORBED IN ZEOLITES [J].

MICHAEL, A ;

MEILER, W ;

MICHEL, D ;

PFEIFER, H .

CHEMICAL PHYSICS LETTERS, 1981, 84 (01) :30-32

[10] POLAR PROPERTIES OF CARBON-MONOXIDE [J].

POLITZER, P ;

KAMMEYER, CW ;

BAUER, J ;

HEDGES, WL .

JOURNAL OF PHYSICAL CHEMISTRY, 1981, 85 (26) :4057-4060

← 1 2 →