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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Jun-2023fosamine_CONF48_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.32894984; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF48_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35170534; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF48_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35224377; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF49_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.32636035; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF49_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35047857; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF49_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35124519; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF4_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.32743354; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF4_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35048566; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF4_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35121949; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF50_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.32655405; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF50_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35008138; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF50_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35081512; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF51_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.32891000; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF51_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35094096; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF51_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35190709; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF52_gasPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.32897907; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF52_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35091230; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF52_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35197895; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF53_octanolPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35029094; Eh
thumbnail.jpeg6-Jun-2023fosamine_CONF53_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-816.35105472; Eh