Theoretical studies of photoelectron spectra of SO42- (H2O)n clusters and the extrapolation to bulk solution

Chang Guo Zhan; Fang Zheng; David A. Dixon

doi:10.1063/1.1576758

Theoretical studies of photoelectron spectra of SO₄^2- (H₂O)_n clusters and the extrapolation to bulk solution

Chang Guo Zhan, Fang Zheng, David A. Dixon

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26 Scopus citations

Abstract

Photoelectron spectra of SO₄^2-(H₂O)_n clusters was discussed. First-principles electronic structure calculations were performed. It was found that for n≥12 there is threshold ionization energy of the low binding energy band.

Original language	English
Pages (from-to)	781-793
Number of pages	13
Journal	Journal of Chemical Physics
Volume	119
Issue number	2
DOIs	https://doi.org/10.1063/1.1576758
State	Published - Jul 8 2003

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Theoretical studies of photoelectron spectra of SO42- (H2O)n clusters and the extrapolation to bulk solution",

abstract = "Photoelectron spectra of SO42-(H2O)n clusters was discussed. First-principles electronic structure calculations were performed. It was found that for n≥12 there is threshold ionization energy of the low binding energy band.",

author = "Zhan, {Chang Guo} and Fang Zheng and Dixon, {David A.}",

year = "2003",

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doi = "10.1063/1.1576758",

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T1 - Theoretical studies of photoelectron spectra of SO42- (H2O)n clusters and the extrapolation to bulk solution

AU - Zhan, Chang Guo

AU - Zheng, Fang

AU - Dixon, David A.

PY - 2003/7/8

Y1 - 2003/7/8

N2 - Photoelectron spectra of SO42-(H2O)n clusters was discussed. First-principles electronic structure calculations were performed. It was found that for n≥12 there is threshold ionization energy of the low binding energy band.

AB - Photoelectron spectra of SO42-(H2O)n clusters was discussed. First-principles electronic structure calculations were performed. It was found that for n≥12 there is threshold ionization energy of the low binding energy band.

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U2 - 10.1063/1.1576758

DO - 10.1063/1.1576758

M3 - Article

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 2

ER -

Theoretical studies of photoelectron spectra of SO₄^2- (H₂O)_n clusters and the extrapolation to bulk solution

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