CALCULATION OF ELECTROMAGNETIC PROPERTIES OF THE NOBLE-GASES

被引：51

作者：

BISHOP, DM

CYBULSKI, SM

机构：

[1] Department of Chemistry, University of Ottawa, Ottawa

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 211卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(93)85194-S

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：

The calculation of accurate self-consistent-field values for many of the electric and magnetic properties of the noble gases (He, Ne, Ar, Kr, and Xe) is reported. Because of the large basis sets used, in most cases, these values are superior to those previously given in the literature and, for some properties and species, are the first to be published.

引用

页码：255 / 258

页数：4

共 20 条

[1] ALMLOF J, MOLECULE 3 VECTORIZE
[2] THE ELECTROSTATIC MODEL OF FIELD GRADIENTS AT NUCLEI - AN APPLICATION TO HYDROGEN-BONDED COMPLEXES OF HCL
BAKER, J
BUCKINGHAM, AD
FOWLER, PW
STEINER, E
LAZZERETTI, P
ZANASI, R
[J]. JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1989, 85 : 901 - 913
[3] CALCULATION OF DYNAMIC MAGNETIC HYPERPOLARIZABILITY ANISOTROPIES FOR HE, NE AND AR
BISHOP, DM
CYBULSKI, SM
[J]. CHEMICAL PHYSICS LETTERS, 1992, 200 (1-2) : 153 - 157
[4] BISHOP DM, UNPUB
[5] Buckingham A. D., 1967, ADV CHEM PHYS, P107, DOI DOI 10.1002/9780470143582.CH2
[6] CHEMICAL SHIFTS IN THE NUCLEAR MAGNETIC RESONANCE SPECTRA OF MOLECULES CONTAINING POLAR GROUPS
BUCKINGHAM, AD
[J]. CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1960, 38 (02): : 300 - 307
[7] CYBULSKI SM, 1993, TRURL PACKAGE
[8] HYPERPOLARIZATION EFFECTS ON THE ELECTRIC-FIELD GRADIENT AT A NUCLEUS
FOWLER, PW
[J]. CHEMICAL PHYSICS LETTERS, 1989, 156 (05) : 494 - 500
[9] THE MAGNETIC HYPERPOLARIZABILITY ANISOTROPY OF SOME 2-ELECTRON SYSTEMS
FOWLER, PW
BUCKINGHAM, AD
[J]. MOLECULAR PHYSICS, 1989, 67 (03) : 681 - 691
[10] MALLI G, 1967, INT J QUANTUM CHEM, V1, P95

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