NUCLEAR MAGNETIC SHIELDING TENSOR FOR THE ETHYLENIC CARBON-ATOM IN TETRACHLOROCYCLOPROPENE

被引：9

作者：

JASZUNSKI, M

BAK, KL

JORGENSEN, P

HELGAKER, T

RUUD, K

JENSEN, HJA

机构：

[1] AARHUS UNIV,DEPT CHEM,DK-8000 AARHUS,DENMARK

[2] UNIV OSLO,DEPT CHEM,N-0315 OSLO,NORWAY

[3] ODENSE UNIV,DEPT CHEM,DK-5230 ODENSE,DENMARK

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 204卷 / 5-6期

关键词：

D O I：

10.1016/0009-2614(93)89212-Z

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 nuclear magnetic shielding tensor has been calculated for the ethylenic carbon atom in tetrachlorocyclopropene using London orbitals. It is found that the London results are more stable with respect to extensions of the basis than the corresponding IGLO and LORG calculations.

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收藏

页码：608 / 610

页数：3

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