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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Jul-2019PhIO_trimer_H2OFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-1030.7047479; Eh
thumbnail.jpeg9-Jul-20194t-PhIFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-242.9482289; Eh
thumbnail.jpeg9-Jul-20195tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-1440.307334; Eh
thumbnail.jpeg9-Jul-20194t-ProdFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-477.2705799; Eh
thumbnail.jpeg9-Jul-20193tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.2241322; Eh
thumbnail.jpeg9-Jul-2019TS_2t-3tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GENECP-720.1118918; 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
thumbnail.jpeg9-Jul-2019HOCOCF3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-526.7965489; Eh
thumbnail.jpeg9-Jul-2019/EZ_substrate 4t_prod_EZFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311++G** GEN-477.2692649; Eh
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