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

页码：2217 / 2221

页数：5

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