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|標題:||Rate coefficient and mechanism of the gas phase OPSCN -> OPNCS isomerization: a density functional theory study||作者:||Jalbout, A.F.
|關鍵字:||OP-SCN;OP-NCS;B3LYP;isomerization;transition state;CSTS kinetics;infrared-spectroscopy;scn molecule;generation;spectra||Project:||Journal of Molecular Structure-Theochem||期刊/報告no：:||Journal of Molecular Structure-Theochem, Volume 676, Issue 1-3, Page(s) 127-132.||摘要:||
OPSCN is among a series of new species that have currently been of some interest by certain groups. In previous reports, the vibrational spectra of the molecule has been experimentally observed and analyzed. However, the OPNCS molecule appears also to be a possibility for its formation even at room temperatures. Thus, we propose a venue for which future experiments should be performed in the analysis of this mechanism. (C) 2004 Elsevier B.V. All rights reserved.
|Appears in Collections:||土壤環境科學系|
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