DFT STUDY OF THE STRUCTURE, CONFORMATIONAL PROFILE AND THE VIBRATIONAL ANALYSIS OF 2-FURANCARBOTHIALDEHYDE AND 3-FURANCARBOTHIALDEHYDE

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作者
S. Ahmed
S. Abdalla
A. Ishaq
Y. Umar
机构
[1] Department of Chemistry,
[2] Faculty of Science,undefined
[3] University of Khartoum,undefined
[4] Department of Mathematics and Natural Sciences,undefined
[5] Prince Mohammad Bin Fahd University,undefined
[6] Department of Chemical and Process Engineering Technology,undefined
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关键词
density functional method; rotational barrier; vibrational wavenumber; solvent effect; furancarbothialdehyde.;
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页码:1485 / 1497
页数:12
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