Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Benzene TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.51469993; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Benzene Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62347222; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Benzene CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76245736; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Butanone TS_Peroxo_BreakGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.53934013; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Butanone Reactive_ComplexGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.62805980; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/BenzylAlcohol CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76289574; Eh
thumbnail.jpeg18-Feb-2021/ORCA_DLPNO/Butanone CarbonateGaray Ruiz, DiegoOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)def2-TZVP; AutoAux-666.76608450; Eh
Results 81-87 of 87 (Search time: 0.002 seconds).