VANDERWAALS AND CHARGE-TRANSFER COMPLEXES OF MOLECULAR-OXYGEN AND WATER

被引：21

作者：

BROWN, WB

VINCENT, MA

TROLLOPE, K

HILLIER, IH

机构：

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

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 192卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(92)85454-I

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：

Ab initio SCF, CI and distributed multipole calculations have been made of the energy and structure of the van der Waals complex O2.H2O, and of the corresponding charge-transfer complex O2-H2O+. The possible role of these species in the photo-nucleation of water vapour by ultra-violet radiation in the presence of oxygen, and in the UV spectrum of oxygenated liquid water, is discussed.

引用

页码：213 / 216

页数：4

共 22 条

[1]

AMOS RD, 1987, CADPAC CAMBRIDGE ANA

[2]

[Anonymous], 1981, INTERMOLECULAR FORCE

[3]

BONE RGA, 1990, THEOR CHIM ACTA, V78, P133, DOI 10.1007/BF01112865

[4]

BROWN WO, IN PRESS