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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Jun-2019Pre_hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.40853549; Eh
Login required24-Jun-2019Post_proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-1940.44236538; Eh
Login required24-Jun-2019Hydride_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-1940.40828088; Eh
Login required24-Jun-2019Proton_transferArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Single point StructureRM066-31+G** GENECP-1940.43500138; Eh
Login required24-Jun-2019EthanolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GEN-154.952432732; Eh
Login required27-Aug-2019Mo-4-gas-tripletArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumUM066-31+G** GENECP-2487.77743547; Eh
Login required27-Aug-2019Mo-4-gas-singletArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2487.84977489; Eh
Login required27-Aug-2019Mo-ts-10-11Artus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2381.61995093; Eh
Login required27-Aug-2019Mo-4-alt3Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G** GENECP-2487.85481184; Eh
Login required27-Aug-2019Fe-ts-10-11Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM066-31+G** GENECP-2123.23274107; Eh
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