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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021tetraconazole_CONF252_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2061.43240823; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF235_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2061.43297534; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF241_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2061.43069184; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF242_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2061.43277537; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF249_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2061.43336969; Eh
thumbnail.jpeg21-Dec-2021tetraconazole_CONF24_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-2061.43141289; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RR_CONF47_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.31983285; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RR_CONF46_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.31999951; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RR_CONF5_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.31877391; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RR_CONF6_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.31849799; Eh
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