AN AB-INITIO STUDY OF LI+CENTER-DOT-CENTER-DOT-CENTER-DOT-C-S, A PURELY ELECTROSTATIC SYSTEM

被引：1

作者：

KALEMOS, A ^{[1
]}

PAPAKONDYLIS, A ^{[1
]}

MAVRIDIS, A ^{[1
]}

机构：

[1] NATL & KAPODISTRIAN UNIV ATHENS, DEPT CHEM, PHYS CHEM LAB, GR-15771 ATHENS, GREECE

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 357卷 / 1-2期

关键词：

D O I：

10.1016/0166-1280(95)04265-8

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 Li+... C=S interaction has been computed by SCF and CISD methods, and it was found to be purely electrostatic with a binding energy D-e of 33 kcal mol(-1) and a bond distance R(Li+-C) = 2.107 A.

引用

页码：97 / 101

页数：5

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