A CNDO calculation of ring medels of polywater

被引：10

作者：

Azman, A. ^{[1
]}

Koller, J.

Hadzi, D.

机构：

[1] Univ Chem Lab, Ljubljana, Yugoslavia

[2] Boris Kidric Inst Chem, Ljubljana, Yugoslavia

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 5卷 / 03期

关键词：

D O I：

10.1016/0009-2614(70)80029-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：

Taking the calculated energy as a criterion. the ring consisting of six H2O units with protons placed in the middle between oxygens appears more stable than the four-membered one. The distance of the extracyclic protons is very important. The charges on the atoms are small.

引用

页码：157 / 158

页数：2

共 5 条

[1] POLYWATER [J].