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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-Jun-2021/ORCA_calculations 94_fragmentHaack, AlexanderOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-TZVPP-318.70044322; Eh
thumbnail.jpeg14-Jun-2021/ORCA_calculations A1_gasHaack, AlexanderOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-TZVPP-467.62094767; Eh
thumbnail.jpeg14-Jun-2021/ORCA_calculations NH2CNHaack, AlexanderOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-TZVPP-148.76902768; Eh
thumbnail.jpeg14-Jun-2021/ORCA_calculations HNCNHHaack, AlexanderOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-TZVPP-148.77112223; Eh
thumbnail.jpeg14-Jun-2021/ORCA_calculations A4_gasHaack, AlexanderOrca; 4.2.1; RELEASEGeometry optimization MinimumDFTdef2-TZVPP-467.60786796; Eh
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