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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Dec-2021azaconazole_CONF20_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.07582256; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF10_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75607024; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF6_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.07934688; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF11_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75604252; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF15_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75678220; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF4_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.07813560; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF13_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75678282; Eh
thumbnail.jpeg22-Dec-2021azaconazole_CONF7_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1699.07934882; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF1_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75988428; Eh
thumbnail.jpeg22-Dec-2021bitertanol_RR_CONF16_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75560608; Eh
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