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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017TS(5i-5k)de Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; SDD-1214.18744554; Eh
thumbnail.jpeg29-Feb-2016TS3b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3793.31500434; Eh
thumbnail.jpeg31-Aug-2016t12-13Kuniyil, RosithaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); SDD-3101.67703302; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)cde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31G*; LANL2DZ; SDD-1266.01129874; Eh
thumbnail.jpeg29-Jan-2016TS3(Opt)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRPBEPBE6-311G(d,p); LANL2DZ-5146.12281564; Eh
Login required18-Apr-2017/B3LYP-D3 TS1_bisMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1423.26717345; Eh
thumbnail.jpeg26-Sep-2016/Gold ATS1_Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D6-31g(d); lanl2dz-1793.92089820; Eh
thumbnail.jpeg29-Feb-2016TS2b1-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1998.46591277; Eh
thumbnail.jpeg21-Jul-2017TS(2-4)hde Orbe, M. ElenaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRM066-31G*; SDD-1137.96864593; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS6-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.83977928; Eh
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