Browsing by Author Phung, Quan

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Showing results 1 to 3 of 3
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Sep-2016Acetic_acidPhung, QuanMolcas; 8.0Geometry optimizationDFTANO-S-
thumbnail.jpeg9-Sep-2016AcroleinPhung, QuanTURBOMOLE; 6.4Single point Excited stateDFTdef2-TZVP-191.8830116755; Eh
thumbnail.jpeg9-Sep-2016FeOH2Phung, QuanMolcas; 8.0Geometry optimization IncompleteCASSCF; CASPT2ANO-L-