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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Chloroform TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.53034254; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Chloroform CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76406391; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Cyclohexane Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62074258; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Cyclohexane TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.50925734; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Cyclohexane CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76010636; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Dibutylether TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.51955471; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Dibutylether Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62325578; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Dibutylether CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76158686; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Dichloromethane Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62676551; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Dichloromethane TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.53736187; Eh
Results 11-20 of 87 (Search time: 0.001 seconds).