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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/PaperStructures/Adducts A_N_N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-850.030454675; Eh
thumbnail.jpeg/PaperStructures/Adducts Int_N_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-850.028529639; Eh
thumbnail.jpeg/PaperStructures/Adducts I_N_W_WPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-850.037095890; Eh
thumbnail.jpeg/PaperStructures/TS TS1NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-850.013761948; Eh
thumbnail.jpeg/PaperStructures/TS TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-849.998025454; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/vacuum TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-849.9664305; Eh
thumbnail.jpeg/PaperStructures/Solvation/b3lyp/solution TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYPCC-PVTZ-849.998025454; 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/solution TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-844.38279152; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631d TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D)-849.697623839; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-849.758235413; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_631dp_PCM TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-31+G(D,P)-849.741018160; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/b3lyp_6311dp TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RB3LYP6-311++G(D,P)-849.937296783; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/bp86 TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RBP866-31+G(D,P)-849.735937626; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbepbe TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBEPBE6-31+G(D,P)-848.625495459; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/pbe1pbe TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RPBE1PBE6-31+G(D,P)-848.717458367; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m06 TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM066-31+G(D,P)-849.086753965; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/m062x TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062X6-31+G(D,P)-849.278233169; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/wb97xd TS2NWPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RwB97XD6-31+G(D,P)-849.441885929; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVDZ TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVDZ; AutoAux-844.13755008; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVTZ TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVTZ; AutoAux-844.37876816; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpVQZ TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pVQZ; AutoAux-844.43713663; Eh
thumbnail.jpeg/SupportingStructures/Benchmark/dlpno_ccpV5Z TS2NWPérez Soto, RaúlOrca; 4.0.1.2; RELEASEDLPNO-CCSD(T)cc-pV5Z; AutoAux-844.45178722; Eh
thumbnail.jpeg/SupportingStructures/Profiles/M062X/Adducts A_N_N_W_M062XPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062XCC-PVTZ-849.580826066; Eh
thumbnail.jpeg/SupportingStructures/Profiles/M062X/Adducts Int_N_W_M062XPérez Soto, RaúlGaussian; 09; EM64L-G09RevD.01RM062XCC-PVTZ-849.587871572; Eh
Results 1-25 of 33 (Search time: 0.003 seconds).