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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Dec-2021triadimenol_RS_CONF31_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.31962782; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RS_CONF3_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.32050631; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RS_CONF44_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.31880532; Eh
thumbnail.jpeg21-Dec-2021triticonazole_E_CONF14_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1359.59300619; Eh
thumbnail.jpeg21-Dec-2021triadimenol_RS_CONF5_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1319.32065919; Eh
thumbnail.jpeg21-Dec-2021triticonazole_E_CONF13_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1359.59302898; Eh
thumbnail.jpeg21-Dec-2021triticonazole_E_CONF12_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1359.59279725; Eh
thumbnail.jpeg21-Dec-2021triticonazole_E_CONF11_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1359.59298576; Eh
thumbnail.jpeg21-Dec-2021triticonazole_E_CONF10_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1359.59295481; Eh
thumbnail.jpeg21-Dec-2021triticonazole_E_CONF2_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1359.59456822; Eh
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