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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_3_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_4_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat Int1_k2Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-4796.28781513; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_0_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_(R)-2,3-allenolVillar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat B1_AlVillar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-2221.94449429; Eh
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_6_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_7_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg26-Nov-2021/Circular_Dichroism CD_Center_of_Cluster_2_(R)Villar-Yanez, AlbaADF; 2019Single pointSAOPTZP-
thumbnail.jpeg11-Feb-2022/Pathway_c5c4_cat B1Villar-Yanez, AlbaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-651.943278985; Eh
Results 61-70 of 87 (Search time: 0.001 seconds).