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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/dlpno/vacuum WaterPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; AutoAux-76.05656923; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/dlpno/vacuum HemiaminalPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; AutoAux-555.94627653; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/dlpno/vacuum IminePérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; AutoAux-479.88700538; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/dlpno/solution TS2NPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; AutoAux-768.29433092; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/dlpno/solution TS2WPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; AutoAux-631.96868378; Eh
thumbnail.jpeg24-Feb-2020/PaperStructures/Solvation/dlpno/vacuum NButylaminePérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVTZ; AutoAux-212.39929944; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2NWPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pV5Z; AutoAux-844.45178722; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2NPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pV5Z; AutoAux-768.35092914; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2WPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pV5Z; AutoAux-632.02664212; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2WWPérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pV5Z; AutoAux-708.11086764; Eh
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