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Title: Predictions of adiabatic ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH by density functional method

Abstract

Using density functional method, we have obtained predictions of ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH. These predictions are in good accord with experimental values and theoretical values based on the Gaussian-2 theory.

Authors:
;  [1]
  1. Institute of Atomic and Molecular Sciences, Academia Sinica, P.O. Box 23-166, Taipei, Taiwan 10764 (Taiwan, Province of China)
Publication Date:
OSTI Identifier:
6942134
Resource Type:
Journal Article
Journal Name:
Journal of Chemical Physics; (United States)
Additional Journal Information:
Journal Volume: 98:1; Journal ID: ISSN 0021-9606
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS; METHYL RADICALS; AFFINITY; IONIZATION POTENTIAL; SILANES; SULFIDES; ADIABATIC APPROXIMATION; ALKYL RADICALS; CHALCOGENIDES; HYDRIDES; HYDROGEN COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC SILICON COMPOUNDS; RADICALS; SILICON COMPOUNDS; SULFUR COMPOUNDS; 664100* - Theory of Electronic Structure of Atoms & Molecules- (1992-)

Citation Formats

Chong, D P, and Ng, C Y. Predictions of adiabatic ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH by density functional method. United States: N. p., 1993. Web. doi:10.1063/1.464624.
Chong, D P, & Ng, C Y. Predictions of adiabatic ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH by density functional method. United States. doi:10.1063/1.464624.
Chong, D P, and Ng, C Y. Fri . "Predictions of adiabatic ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH by density functional method". United States. doi:10.1063/1.464624.
@article{osti_6942134,
title = {Predictions of adiabatic ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH by density functional method},
author = {Chong, D P and Ng, C Y},
abstractNote = {Using density functional method, we have obtained predictions of ionization energies and electron affinities for CH[sub 3]S and CH[sub 2]SH. These predictions are in good accord with experimental values and theoretical values based on the Gaussian-2 theory.},
doi = {10.1063/1.464624},
journal = {Journal of Chemical Physics; (United States)},
issn = {0021-9606},
number = ,
volume = 98:1,
place = {United States},
year = {1993},
month = {1}
}