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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Aug-2022/Orca 3von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.21975840; Eh
thumbnail.jpeg22-Aug-2022/Orca 2von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1404.15024461; Eh
thumbnail.jpeg22-Aug-2022/Orca 6von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1404.72799368; Eh
thumbnail.jpeg22-Aug-2022/Orca 5von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1405.18241223; Eh
thumbnail.jpeg22-Aug-2022/Orca 4von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1405.34968161; Eh
thumbnail.jpeg22-Aug-2022/Orca 7von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1404.63982365; Eh
thumbnail.jpeg22-Aug-2022/Orca TS0oxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1558.98879671; Eh
thumbnail.jpeg22-Aug-2022/Orca TS3Aoxvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1560.17302139; Eh
thumbnail.jpeg22-Aug-2022/Orca TS3Avon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1560.34847105; Eh
thumbnail.jpeg22-Aug-2022/Orca RuBPYvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1580.93487996; Eh
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