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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 required21-Jun-2019/M062X TS1_benzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1712.72156680; Eh
Login required21-Jun-2019/M062X Int-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**-1712.81628876; 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 TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1712.75632121; Eh
Login required21-Jun-2019/M062X TS3CsB-CMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062XLanL2DZ; 6-311G**-1446.04247941; Eh
thumbnail.jpeg17-Jul-2019Prev_TS2_adduct_monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-2017.81929564; Eh
thumbnail.jpeg17-Jul-2019NaFBOPhMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-862.448698432; Eh
Results 1621-1630 of 2088 (Search time: 0.003 seconds).