Browsing by Author Pérez-Soto, Raúl

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required1-Jun-2022/dispersion_interaction/pro-R Adduct_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-2882.58926982; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Adduct_opt_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2883.4176726; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Base_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-371.535051952; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Base_opt_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.5944275; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Base_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.5936297; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Complex_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-2511.01266061; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Complex_opt_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2511.750486; Eh
Login required1-Jun-2022/dispersion_interaction/pro-R Complex_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2511.746575; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S Adduct_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-2882.59326908; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S Adduct_opt_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2883.4242899; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S Base_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-371.536038708; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S Base_opt_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.595223; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S Base_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.5942489; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S complex_optPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-2511.01253417; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S complex_opt_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2511.7510592; Eh
Login required1-Jun-2022/dispersion_interaction/pro-S complex_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2511.7488761; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v1Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1476.00649053; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-1476.4103607; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D,P) GEN-1476.00324422; Eh
thumbnail.jpeg11-Feb-2022HNSi_s_v2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP GEN-1476.4070494; Eh