Browsing by Author Otten, Edwin

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Showing results 1 to 3 of 3
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Sep-2016aceticOtten, EdwinMolcas; 8.0Geometry optimizationDFTANO-S-
thumbnail.jpeg9-Sep-2016CCOtten, EdwinGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--499.599892121; Eh
thumbnail.jpeg9-Sep-2016verdazylOtten, EdwinTURBOMOLE; 6.4Geometry optimizationU-DFTdef2-TZVP-