Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-20184_2-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1362.02711842; Eh
thumbnail.jpeg15-Oct-20186_2-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1247.56944499; Eh
thumbnail.jpeg15-Oct-2018b_2-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1400.24064451; Eh
thumbnail.jpeg15-Oct-2018a_6-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1400.24590016; Eh
thumbnail.jpeg15-Oct-2018a_2-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1400.24166455; Eh
thumbnail.jpeg15-Oct-2018a_4-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1400.23276902; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 M06-L-OOHMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LSDD 6-31G** 6-31+G* GEN-3156.68594456; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 M06-L-OH-freqMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Single point MinimumUM06LSDD 6-31G** 6-31+G* GEN-3081.55762053; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 M06-L-MOFMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LSDD 6-31G** 6-31+G* GEN-3005.71964111; Eh
thumbnail.jpeg6-Nov-2020/Cluster-Fe-MOF-74 M06-L-MOF-freqMorales-Vidal, JordiGaussian; 09; EM64L-G09RevD.01Single point StructureUM06LSDD 6-31G** 6-31+G* GEN-3005.71964106; Eh
Results 21-30 of 34 (Search time: 0.002 seconds).