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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/M062X ProductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-814.773438884; Eh
Login required21-Jun-2019/M062X ReactMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-363.765332212; Eh
Login required21-Jun-2019/M062X React1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-383.619124274; Eh
Login required21-Jun-2019/M062X TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1712.75632121; Eh
Login required21-Jun-2019/M062X TS1-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1014.89071339; Eh
Login required21-Jun-2019/M062X TS1-pirrolMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1692.88917279; Eh
Login required21-Jun-2019/M062X TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1712.72156680; Eh
Login required21-Jun-2019/M062X TS2-modelMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-2140.99843259; Eh
Login required21-Jun-2019/M062X TS3CsB-CMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.04247941; Eh
Login required21-Jun-2019/M062X TS3CsB-OMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.02437164; Eh
Login required21-Jun-2019/M062X TS4C_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.03402131; Eh
Login required21-Jun-2019/M062X TS4O_BMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.05569034; Eh
Login required24-Jul-2019/m062x/propylene_carbonate br_anionGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Single point TSRM062X6-311+G(D,P)-2574.34314498; Eh
Login required24-Jul-2019/m062x/propylene_carbonate co2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-188.576513366; Eh
Login required24-Jul-2019/m062x/propylene_carbonate hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-2956.02339262; Eh
Login required24-Jul-2019/m062x/propylene_carbonate propylene_carbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-381.698674101; Eh
Login required24-Jul-2019/m062x/propylene_carbonate propylene_oxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-193.083415209; Eh
Login required24-Jul-2019/m062x/propylene_carbonate tmaGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-214.203513564; Eh
Login required24-Jul-2019/m062x/propylene_carbonate tmabrGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-2788.55412635; Eh
Login required24-Jul-2019/m062x/propylene_carbonate ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.97413196; Eh