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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-201810tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-3434.55927067; Eh
thumbnail.jpeg13-Jul-201811tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-3434.58993651; Eh
thumbnail.jpeg13-Jul-201812tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2401.32022774; Eh
thumbnail.jpeg13-Jul-201813tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2630.37502707; Eh
thumbnail.jpeg13-Jul-201814tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1383.53695788; Eh
thumbnail.jpeg13-Jul-201815tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1383.56254280; Eh
thumbnail.jpeg13-Jul-201817tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-861.698599367; Eh
thumbnail.jpeg13-Jul-201818tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1090.74468718; Eh
thumbnail.jpeg13-Jul-201819tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1607.97369138; Eh
Login required30-Aug-20191Int2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-962.123471074; Eh
Login required30-Aug-20191IntcisMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1423.33281938; Eh
Login required30-Aug-20191InttransMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1423.34867312; Eh
thumbnail.jpeg13-Jul-201820tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1607.97597409; Eh
thumbnail.jpeg13-Jul-201821tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-3434.53612479; Eh
thumbnail.jpeg13-Jul-201822tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-3434.56067756; Eh
thumbnail.jpeg13-Jul-20182tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1824.36999735; Eh
thumbnail.jpeg13-Jul-20183tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1824.36834853; Eh
thumbnail.jpeg13-Jul-20184tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1595.31391062; Eh
thumbnail.jpeg13-Jul-20185tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-1321.96267939; Eh
thumbnail.jpeg13-Jul-20186tFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB97D6-311++G**-2917.29958620; Eh