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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required18-Feb-2021/ORCA_DLPNO/BenzylAlcohol TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.54982881; Eh
Login required18-Feb-2021/ORCA_DLPNO/Benzene Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62347222; Eh
Login required18-Feb-2021/ORCA_DLPNO/CarbonTetraChloride TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.51413400; Eh
Login required18-Feb-2021/ORCA_DLPNO/Gas Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.60781290; Eh
Login required18-Feb-2021/ORCA_DLPNO/Chlorobenzene TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.52992833; Eh
Login required18-Feb-2021/ORCA_DLPNO/Formamide TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.55000489; Eh
Login required18-Feb-2021/ORCA_DLPNO/Formamide CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.75322197; Eh
Login required18-Feb-2021/ORCA_DLPNO/Tetrahydrofuran TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.53241204; Eh
Login required18-Feb-2021/ORCA_DLPNO/Pyridine TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.53692665; Eh
Login required18-Feb-2021/ORCA_DLPNO/Pyridine CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76523336; Eh
Results 1-10 of 87 (Search time: 0.001 seconds).