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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/2_butanol TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.55252750; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/2_butanol Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62457220; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/2_butanol CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76439232; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/CarbonTetraChloride TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.51413400; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/CarbonTetraChloride Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62342471; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Chlorobenzene Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62635553; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/CarbonTetraChloride CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76269496; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Chlorobenzene TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.52992833; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Chloroform Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62496961; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Chlorobenzene CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76541599; Eh
Results 1-10 of 87 (Search time: 0.001 seconds).