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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/toluene propylene_carbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-381.691733107; Eh
Login required24-Jul-2019/m062x/toluene hemicarbonateGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-2955.98984752; Eh
Login required24-Jul-2019/m062x/toluene tmabrGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-2788.53420849; Eh
Login required24-Jul-2019/m062x/toluene ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.94593729; Eh
Login required24-Jul-2019/m062x/toluene ts2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.97091846; Eh
Login required24-Jul-2019/pm6/propylene_carbonate tmabrGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPM6VSTO-6G ZDO-
Login required24-Jul-2019/pm7/propylene_carbonate ts2Garay Ruiz, DiegoGaussian; 16; AM64L-G16RevA.03Geometry optimization TS-VSTO-6G ZDO-0.360386793601; Eh
Login required24-Jul-2019/m062x/propylene_carbonate ts1Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311+G(D,P)-2955.97413196; Eh
Login required24-Jul-2019/m062x/toluene propylene_oxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311+G(D,P)-193.082230350; Eh
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