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Performance of ab initio and DFT PCM methods in calculating vibrational spectra in solution: Formaldehyde in acetonitrile as a test case

Performance of ab initio and DFT PCM methods in calculating vibrational spectra in solution: Formaldehyde in acetonitrile as a test case

Didier Begue; Philippe Carbonniere; Vincenzo Barone; Claude Pouchan

作者Didier Begue; Philippe Carbonniere; Vincenzo Barone; Claude Pouchan
卷第416卷
印刷ISSN0009-2614
文件大小121.94KB
发表时间2005
DOI10.1016/j.cplett.2005.09.099
页码206-211

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