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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v4_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPDEF2TZVP DEF2QZVP GEN-26981.8838146; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v5_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPDEF2TZVP DEF2QZVP GEN-26981.888909; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 9tFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2095.6564244; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction TS1-2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2095.6499501; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 9ossFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2095.6567302; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 10Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1341.3020064; Eh
thumbnail.jpeg24-Jan-2019/Oxidative_addition-Halide_abstraction 2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1655.9144966; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v6_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPDEF2TZVP DEF2QZVP GEN-26981.8935282; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuNH_Si_t_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPDEF2TZVP DEF2QZVP GEN-26981.8945625; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_SiH_t_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPDEF2TZVP DEF2QZVP GEN-26981.8816481; Eh
Results 31-40 of 739 (Search time: 0.002 seconds).