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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Mar-2017Linker_pent_optMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg27-Mar-2017Linker_optMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg27-Mar-2017pore_optimizationMelgar, DoloresADF; 2010; 01Geometry optimizationDFTTZP-860.55692039; eV
thumbnail.jpeg27-Mar-2017Pentagon_optMelgar, DoloresADF; 2010; 01Geometry optimizationDFTTZP-242.53610607; eV
thumbnail.jpeg27-Mar-2017linker_pentagon_optMelgar, DoloresADF; 2012; 01Geometry optimizationDFTTZP-
thumbnail.jpeg27-Mar-2017Mo7O24_optMelgar, DoloresADF; 2010; 01Geometry optimizationDFTTZP-276.35762982; eV
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