Long-range interactions within the H2O molecule

被引:13
作者
Brandao, J [1 ]
Rio, CMA [1 ]
机构
[1] Univ Algarve, Fac Ciencias & Tecnol, P-8000117 Faro, Portugal
关键词
D O I
10.1016/S0009-2614(03)00533-5
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 long-range interactions between the atoms and diatoms in their ground and first excited states as they appear as fragments on the water dissociation have been modeled. The computed long-range coefficients, which are function of the interaction angle and the interatomic distance of the diatomic, are used to build potential energy functions to represent the long-range energies within this system. (C) 2003 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:866 / 872
页数:7
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