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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-2023pyridate_CONF266_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32240396; Eh
thumbnail.jpeg8-May-2023pyridate_CONF264_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32222347; Eh
thumbnail.jpeg8-May-2023pyridate_CONF438_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.31907696; Eh
thumbnail.jpeg8-May-2023pyridate_CONF42_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32316718; Eh
thumbnail.jpeg8-May-2023pyridate_CONF383_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.31886498; Eh
thumbnail.jpeg8-May-2023pyridate_CONF363_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32129903; Eh
thumbnail.jpeg8-May-2023pyridate_CONF358_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32096799; Eh
thumbnail.jpeg8-May-2023pyridate_CONF342_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.31924901; Eh
thumbnail.jpeg8-May-2023pyridate_CONF323_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32095530; Eh
thumbnail.jpeg8-May-2023pyridate_CONF309_waterPulgar Rubio, AntonioOrca; 5.0.2; RELEASESingle point-def2-TZVPP-1856.32117649; Eh
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