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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2022/Orca 8von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1403.99204066; Eh
Login required22-Aug-2022/Orca TS3Aoxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1560.17302139; Eh
Login required22-Aug-2022/Orca TS0oxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1558.98879671; Eh
Login required22-Aug-2022/Orca RuBPYvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1580.93487996; Eh
Login required22-Aug-2022/Orca TS1von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.17699088; Eh
Login required22-Aug-2022/Orca TS1oxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.00296155; Eh
Login required22-Aug-2022/Orca 9von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.05957346; Eh
Login required22-Aug-2022/Orca 10von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1848.48925462; Eh
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