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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Aug-2020DFT-UFF-surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; B97D; UFF6-31+G* DUMMY MIXED-1608.68970079; Eh
thumbnail.jpeg9-Aug-2020DFT-UFF-polymer+surfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; B97D; UFF6-31+G* DUMMY MIXED-3316.32683022; Eh
thumbnail.jpeg9-Aug-2020DFT-UFF-polymerFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; B97D; UFF6-31+G* DUMMY MIXED-1707.71306802; Eh
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