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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required10-Feb-2022oxpoconazole_CONF30_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1513.49168650; Eh
Login required21-Dec-2021tebuconazole_CONF129_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1322.71226365; Eh
Login required10-Feb-2022oxpoconazole_CONF26_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1513.49226498; Eh
Login required22-Dec-2021azaconazole_CONF13_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.05875751; Eh
Login required22-Dec-2021azaconazole_CONF12_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.06141957; Eh
Login required22-Dec-2021azaconazole_CONF4_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.05873295; Eh
Login required22-Dec-2021azaconazole_CONF3_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.06081948; Eh
Login required22-Dec-2021azaconazole_CONF6_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.06166407; Eh
Login required22-Dec-2021azaconazole_CONF18_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08166497; Eh
Login required22-Dec-2021azaconazole_CONF4_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.08384100; Eh
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