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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Oct-2019co2Garay Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-188.536756131; Eh
thumbnail.jpeg19-May-20206MCC-OAc_(with_TBD_and_Im-H)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.03950672; Eh
thumbnail.jpeg19-May-20205MCC-Int2_(and_TBD-H(+))Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1776.00730607; Eh
thumbnail.jpeg19-May-20205MCC-OH_(and_TBD)Villar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRwB97XD6-311G(D,P)-1397.16040105; Eh
thumbnail.jpeg29-Oct-2019conc_ts_to_b2hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.42651216; Eh
thumbnail.jpeg29-Oct-2019ts_b2_cyclGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.43484388; Eh
thumbnail.jpeg29-Oct-2019ts2_b2_alkGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3037.87713815; Eh
thumbnail.jpeg29-Oct-2019ts_conc_to_a_hemicarbGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3226.43382560; Eh
thumbnail.jpeg29-Oct-2019b_alkoxideGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G(D,P)-3037.88813471; Eh
thumbnail.jpeg29-Oct-2019ts_to_a_alkGaray Ruiz, DiegoGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G(D,P)-3037.88329665; Eh
Results 21-30 of 54 (Search time: 0.003 seconds).