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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-May-2021MECP-3C_-osC_-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15632723; Eh
thumbnail.jpeg11-May-2021MECP-osB_bis-3B_bis-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15453257; Eh
thumbnail.jpeg11-May-2021MECP-B-3B-singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1275.55704755; Eh
thumbnail.jpeg11-May-2021MECP-B_-A_-tripletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUM066-31+G(D) GENECP-1283.15053809; Eh
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-2020UFF-10-polymerFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureRUFFDUMMY ZDO-
thumbnail.jpeg9-Aug-2020SurfaceFondevila, Adiran J. De AguirreGaussian; 16; AM64L-G16RevA.03Single point StructureONIOM; gaussian--mm; UFFDUMMY MIXED-
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
Results 111-119 of 119 (Search time: 0.002 seconds).