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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS8-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.83788472; Eh
thumbnail.jpeg21-Jul-2017TS(2-11)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1253.45463646; Eh
thumbnail.jpeg21-Jul-2017TS(5-6)fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01591220; Eh
thumbnail.jpeg26-Sep-2016/Silver ATS2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1804.23325722; Eh
thumbnail.jpeg26-Sep-2016/Gold TS_rotationBCBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.91346922; Eh
thumbnail.jpeg21-Jul-2017TS(5-8)fde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.02221553; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS2-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.80836891; Eh
thumbnail.jpeg21-Jul-2017TS(2-3)bde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1253.45892097; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS9-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.84245870; Eh
thumbnail.jpeg21-Jul-2017TS(5-8)cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.02022807; Eh
Results 21-30 of 1455 (Search time: 0.001 seconds).