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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2022/Orca 6von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1404.72799368; Eh
Login required22-Aug-2022/Orca Ethanalvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-153.83559813; Eh
Login required22-Aug-2022/Orca H2von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1.16091378; Eh
Login required22-Aug-2022/Orca RuBPYPF6von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-3462.86457298; Eh
Login required22-Aug-2022/Orca TS3Avon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1560.34847105; Eh
Login required22-Aug-2022/Orca TS3Bvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1405.29406478; Eh
Login required22-Aug-2022/Orca TS0von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.17077584; Eh
Login required22-Aug-2022/Orca 2von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1404.15024461; Eh
Login required22-Aug-2022/Orca EtOHvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-155.03371685; Eh
Login required22-Aug-2022/Orca RuBPY+von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1580.70574855; Eh
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