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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jul-2019/EZ_substrate 2t_EZFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.1469342; Eh
thumbnail.jpeg9-Jul-2019/EZ_substrate 1t_EZFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.146634; Eh
thumbnail.jpeg9-Jul-2019/EZ_substrate TS2t-3t_EZFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.1067848; Eh
thumbnail.jpeg9-Jul-2019PhIO_trimer_H2OFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-1030.7047479; Eh
thumbnail.jpeg9-Jul-2019/EZ_substrate 4t_prod_EZFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-477.2692649; Eh
thumbnail.jpeg9-Jul-2019TS_2t-3tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.1118918; Eh
thumbnail.jpeg9-Jul-20191tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.1485444; Eh
thumbnail.jpeg9-Jul-20192tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.1467921; Eh
thumbnail.jpeg9-Jul-2019ReactFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-478.509065; Eh
thumbnail.jpeg9-Jul-2019H2OFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-76.4290007; Eh
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