Browsing by Author Berraud-Pache, Romain

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Apr-2023Alizarin_neutral_opt+freqBerraud-Pache, RomainOrca; 5.0.3; RELEASEGeometry optimization MinimumDFTdef2-tzvp; def2-tzvp/C-838.48395279; Eh