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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum BenzaldehydePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-343.54771577; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum NButylaminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-212.39929944; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-76.05656923; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum HemiaminalPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-555.94627653; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-479.88700538; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum TS2Pérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-555.84336838; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum TS2WPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-631.92637166; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-768.26204356; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-844.34689893; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/vacuum TS2WWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-708.01674893; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution BenzaldehydePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-343.56316563; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution NButylaminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-212.40864925; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-76.06452542; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution HemiaminalPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-555.96683013; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-479.90559335; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution TS2Pérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-555.88299178; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution TS2WPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-631.96868378; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-768.29433092; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-844.38279152; Eh
thumbnail.jpeg/PaperStructures/Solvation/dlpno/solution TS2WWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-708.04932270; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ BenzanaldehydePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-343.47338724; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ NButylaminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-212.34521978; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ WaterPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-76.03364317; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ HemiaminalPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-555.81679108; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-479.78193106; Eh
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