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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Sep-2023Phorate_CONF191_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54967008; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF192_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54312091; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF192_octanolPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.56070421; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF192_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54970610; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF194_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54425528; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF194_octanolPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.56226709; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF194_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.55149796; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF195_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54502875; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF196_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54266626; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF196_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54880460; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF197_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54499508; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF197_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54947813; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF199_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54581649; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF199_octanolPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.55955907; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF199_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54816718; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF19_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54531640; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF19_octanolPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.56312146; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF19_waterPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.55189842; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF1_gasPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.54551311; Eh
thumbnail.jpeg22-Sep-2023Phorate_CONF1_octanolPulgar Rubio, AntonioOrca; 5.0.3; RELEASESingle point-def2-TZVPP-1963.56280073; Eh