Substituent Effects on the Thermochemistry of Thiophenes. A Theoretical (G3(MP2)//B3LYP and G3) Study

American Chemical Society (ACS) - Tập 116 Số 17 - Trang 4363-4370 - 2012
Rafael Notario1, Manuel Temprado2, Marı́a Victoria Roux1, Joel F. Liebman3
1Instituto de Química Física “Rocasolano” CSIC, Serrano 119, 28006 Madrid, Spain
2Departamento de Química Física, Universidad de Alcalá, 28871 Alcalá de Henares, Madrid, Spain
3Department of Chemistry and Biochemistry, University of Maryland, Baltimore County, 1000 Hilltop Circle, Baltimore, Maryland 21250-1000, United States

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