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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Aug-2022/Orca 1+von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1864.85455873; Eh
thumbnail.jpeg22-Aug-2022/Orca 1von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1865.03700367; Eh
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 5von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1405.18241223; 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 RuBPYPF6von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-3462.86457298; Eh
thumbnail.jpeg22-Aug-2022/Orca RuBPY+von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1580.70574855; Eh
thumbnail.jpeg22-Aug-2022/Orca RuBPYvon Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1580.93487996; Eh
thumbnail.jpeg22-Aug-2022/Orca 9von Wolff, NiklasOrca; 4.2.1; RELEASESingle pointRKSdef2-TZVPP; def2-tzvpp/c-1559.05957346; Eh
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