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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021azaconazole_CONF8_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.05875994; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF9_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.05882049; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF18_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08166497; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF4_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08384100; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF15_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08595681; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF17_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08631603; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF7_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08589111; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF6_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08602154; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF2_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08283981; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF16_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08450307; Eh
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