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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PaperStructures/Adducts A_N_NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.545187223; Eh
thumbnail.jpeg/PaperStructures/Adducts Int_NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.548127632; Eh
thumbnail.jpeg/PaperStructures/Adducts I_N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.554713027; Eh
thumbnail.jpeg/PaperStructures/TS TS1NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.519736497; Eh
thumbnail.jpeg/PaperStructures/TS TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.501454343; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/vacuum TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.4725162; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/solution TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-773.501454343; 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/solution TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-768.29433092; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631d TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D)-773.237920180; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-773.286673374; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp_PCM TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-773.270091974; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-773.442112923; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/bp86 TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RBP866-31+G(D,P)-773.268573137; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-772.242715371; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbe1pbe TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBE1PBE6-31+G(D,P)-772.334853778; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m06 TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM066-31+G(D,P)-772.651353716; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m062x TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062X6-31+G(D,P)-772.848606717; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/wb97xd TS2NPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RwB97XD6-31+G(D,P)-772.997156072; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-768.07569184; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-768.28645419; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVQZ; AutoAux-768.33818710; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2NPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pV5Z; AutoAux-768.35092914; Eh
thumbnail.jpeg/SupportingStructures/Profiles/M062X/Adducts A_N_N_M062XPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062XCC-PVTZ-773.130678528; Eh
thumbnail.jpeg/SupportingStructures/Profiles/M062X/Adducts Int_N_M062XPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062XCC-PVTZ-773.143736297; Eh
Results 1-25 of 33 (Search time: 0.169 seconds).