Protonated water clusters

被引：0
|
作者：
Wroblewski, T. [1 ]
Karwasz, G. P. [2 ]
机构：
[1] Pomeranian Univ Slupsk, Inst Phys, Szczecin, Poland
[2] Univ Nicolaus Copernicus, Inst Phys, Torun, Poland
来源：
EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS | 2013年 / 222卷 / 09期
关键词：
GAS-PHASE; DISSOCIATION; ENERGIES; SPECTRA; EQUILIBRIA; HYDRATION; ION;
D O I：
10.1140/epjst/e2013-01998-4
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
A complete set of protonated water clusters conformers up to n = 8 have been evaluated by ab-initio Hartree-Fock method in 6-311G** molecular orbitals basis set and with quadratic complete basis set method. Configurations of ground-state conformers are in a good accord with those available in literature but present dissociation energies for the light clusters agree better with experimental values. A tentative analysis of experimental conditions for observation of certain clusters is presented in comparison to selected formation paths of clusters. Dissociation energies show a broad range of values.
引用
收藏
页码：2217 / 2221
页数：5
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