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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Dec-2021bitertanol_RR_CONF5_gasPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.75991486; Eh
Login required22-Dec-2021bitertanol_RR_CONF11_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78470377; Eh
Login required22-Dec-2021bitertanol_RR_CONF10_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78487150; Eh
Login required22-Dec-2021bitertanol_RR_CONF37_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78473682; Eh
Login required22-Dec-2021bitertanol_RR_CONF38_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78514412; Eh
Login required22-Dec-2021bitertanol_RR_CONF35_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78425215; Eh
Login required22-Dec-2021bitertanol_RR_CONF57_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78580696; Eh
Login required22-Dec-2021bitertanol_RR_CONF6_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78490881; Eh
Login required22-Dec-2021bitertanol_RR_CONF8_octanolPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.78468381; Eh
Login required22-Dec-2021bitertanol_RS_CONF82_waterPla Terrada, PaulaOrca; 4.2.1; RELEASESingle point-def2-TZVPP-1090.77555995; Eh
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