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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-May-2025/pa dlpno_ccsdt_neutral_10Renningholtz, TimOrca; 6.0.1; RELEASESingle pointDLPNO-CCSD(T)ano-pvqz; autoaux-877.46107348890826; Eh
thumbnail.jpeg19-May-2025/pa dlpno_ccsdt_neutral_8Renningholtz, TimOrca; 6.0.1; RELEASESingle pointDLPNO-CCSD(T)ano-pvqz; autoaux-571.20774139670539; Eh
thumbnail.jpeg19-May-2025/pa dlpno_ccsdt_anion_10Renningholtz, TimOrca; 6.0.1; RELEASESingle pointDLPNO-CCSD(T)ano-pvqz; autoaux-876.89811390505827; Eh
thumbnail.jpeg19-May-2025/pa dlpno_ccsdt_neutral_9Renningholtz, TimOrca; 6.0.1; RELEASESingle pointDLPNO-CCSD(T)ano-pvqz; autoaux-457.55527132030574; Eh
thumbnail.jpeg19-May-2025/pa dlpno_ccsdt_anion_9Renningholtz, TimOrca; 6.0.1; RELEASESingle pointDLPNO-CCSD(T)ano-pvqz; autoaux-456.98683659600692; Eh
thumbnail.jpeg29-Jun-2025Silafluofen_CONF67_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1510.04663371; Eh
thumbnail.jpeg29-Jun-2025Silafluofen_CONF66_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1510.04728622; Eh
thumbnail.jpeg29-Jun-2025Silafluofen_CONF65_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1510.04838051; Eh
thumbnail.jpeg29-Jun-2025Silafluofen_CONF69_gasAlcamí, ManuelOrca; 5.0.2; RELEASESingle pointDFTdef2-TZVPP; def2/J-1510.04619759; Eh
thumbnail.jpeg27-Mar-2025prosulfuron_CONF455_gasPulgar Rubio, AntonioOrca; 4.2.1; RELEASESingle pointDFTdef2-TZVPP; def2/J-1853.85741025; Eh
Results 386321-386330 of 397199 (Search time: 0.242 seconds).