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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-OHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD 6-31G** 6-31+G* GEN-3078.62356007; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-OMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD 6-31G** 6-31+G* GEN-3077.98573653; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-OOHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD 6-31G** 6-31+G* GEN-3153.69119843; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE-MOFMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD 6-31G** 6-31+G* GEN-3002.85584360; Eh
Results 1-7 of 7 (Search time: 0.001 seconds).