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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-May-2016MECPJover Modrego, JesúsGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureUPBEPBE6-31+G*; SDD-1198.48177757; Eh
thumbnail.jpeg9-May-2016O2Jover Modrego, JesúsGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUPBEPBE--150.189324272; Eh
thumbnail.jpeg27-Jun-2018cluster-PBE-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD; 6-31G**; 6-31+G*-3836.29998559; Eh
thumbnail.jpeg27-Jun-2018cluster-PBE-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD; 6-31G**; 6-31+G*-3836.28872365; Eh
thumbnail.jpeg27-Jun-2018cluster-PBE-2-spOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUPBEPBESDD; 6-31G**; 6-31+G*-3836.29983166; Eh
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