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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PaperStructures/Minima IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-483.158752526; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/vacuum IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-483.1424774; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/solution IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-483.158752526; 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/solution IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-479.90559335; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631d IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D)-483.005008892; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-483.026040794; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp_PCM IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-483.013286187; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-483.116128145; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/bp86 IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RBP866-31+G(D,P)-483.006284106; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-482.367450678; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbe1pbe IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBE1PBE6-31+G(D,P)-482.428607070; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m06 IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM066-31+G(D,P)-482.618647754; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m062x IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062X6-31+G(D,P)-482.766459664; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/wb97xd IminePérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RwB97XD6-31+G(D,P)-482.840876599; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-479.78193106; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVTZ IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-479.90281541; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVQZ IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVQZ; AutoAux-479.93268303; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpV5Z IminePérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pV5Z; AutoAux-479.93960266; Eh
thumbnail.jpeg/SupportingStructures/Profiles/M062X/Minima Imine_M062XPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062XCC-PVTZ-482.912078597; Eh
thumbnail.jpeg/SupportingStructures/Profiles/PBEPBE/Minima Imine_PBEPBEPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBECC-PVTZ-482.491386152; Eh
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