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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jan-2022/Cluster_(O) LS_Co-OOH_Cluster_(O)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point StructureUTPSShDEF2TZVP DEF2SVP GEN-3727.58031727; Eh
thumbnail.jpeg1-Oct-2021Cu_atfms_CO2Jover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPTZVP-3843.79426857; Eh
thumbnail.jpeg1-Oct-2021Cu_F_9BBN_atfmsJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureRB3LYPTZVP-4093.39086101; Eh
thumbnail.jpeg31-Jan-2022/Cluster_(O) HS_Co-OH_Cluster_(O)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point StructureUTPSShDEF2TZVP DEF2SVP GEN-3652.46227097; Eh
thumbnail.jpeg30-Aug-2021fe4co4_K_H2OJover Modrego, JesúsGaussian; 09; ES64L-G09RevD.01Single point StructureRPBEPBEGEN-15559.4640586; Eh
thumbnail.jpeg31-Jan-2022/Cluster_(O) HS_Co-O_Cluster_(O)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point StructureUTPSShDEF2TZVP DEF2SVP GEN-3651.78633160; Eh
thumbnail.jpeg31-Jan-2022/Cluster_(O) IS_Co-OH_Cluster_(O)Hegner, Franziska SimoneGaussian; 09; EM64L-G09RevD.01Single point StructureUTPSShDEF2TZVP DEF2SVP GEN-3652.47443796; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 PBE0-OH-freqMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Single point StructureUPBE1PBESDD 6-31G** 6-31+G* GEN-3078.61706115; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 HSE03-OOH-freqMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Single point StructureUOHSE2PBESDD 6-31G** 6-31+G* GEN-3158.82664783; Eh
thumbnail.jpeg23-Sep-2022/OATS ptBu-pCF3Jover Modrego, JesúsGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-31G* SDD GEN-1738.05912440; Eh
Results 111-120 of 587 (Search time: 0.003 seconds).