Higher-Order-2TT_Testset

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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-119
PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/bare_ions 3-AminoquinolineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-457.65843652; Eh
thumbnail.jpeg/bare_ions 3-BromoquinolineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-2975.93300069; Eh
thumbnail.jpeg/bare_ions 4-CyanobenzylamineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-419.53626139; Eh
thumbnail.jpeg/bare_ions 5-ChloroquinolineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-861.93315588; Eh
thumbnail.jpeg/bare_ions AcetaminophenHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-515.90263306; Eh
thumbnail.jpeg/bare_ions AmoxapineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-1357.57887448; Eh
thumbnail.jpeg/bare_ions AnilineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-287.97836524; Eh
thumbnail.jpeg/bare_ions BentazonHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-1122.09623581; Eh
thumbnail.jpeg/bare_ions CaffeineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-680.81071112; Eh
thumbnail.jpeg/bare_ions ClenbuterolHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-1573.73957771; Eh
thumbnail.jpeg/bare_ions ClonidineHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-1433.49905627; Eh
thumbnail.jpeg/bare_ions Dopamine_aHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-517.09766517; Eh
thumbnail.jpeg/bare_ions Dopamine_bHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-517.10515155; Eh
thumbnail.jpeg/bare_ions Glycyl-Proline_aHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-609.63471646; Eh
thumbnail.jpeg/bare_ions Glycyl-Proline_bHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-609.62141893; Eh
thumbnail.jpeg/bare_ions MDA_aHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-594.50296221; Eh
thumbnail.jpeg/bare_ions MDA_bHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-594.51099885; Eh
thumbnail.jpeg/bare_ions Methamphetamine_aHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-445.26028008; Eh
thumbnail.jpeg/bare_ions Methamphetamine_bHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-445.26520484; Eh
thumbnail.jpeg/bare_ions N-DesalkylflurazepamHaack, AlexanderOrca; 5.0.1; RELEASE-def2-TZVPP-1322.85996015; Eh
Collection's Items (Sorted by in order): 1 to 20 of 224
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