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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Mar-2017Linker_frecMelgar, DoloresADF; 2012; 01FrequenciesDFTTZP-
thumbnail.jpeg27-Mar-2017pore_IRMelgar, DoloresADF; 2010; 01FrequenciesDFTTZP-
thumbnail.jpeg27-Mar-2017pentagon_IRMelgar, DoloresADF; 2010; 01FrequenciesDFTTZP-
thumbnail.jpeg27-Mar-2017linker_ramanMelgar, DoloresADF; 2010; 01FrequenciesDFTTZP-
thumbnail.jpeg27-Mar-2017linker_pentagon_IRMelgar, DoloresADF; 2012; 01FrequenciesDFTTZP-
thumbnail.jpeg24-Jul-2020Mo3O10_2H_PBE0Petrus, EnricADF; 2019FrequenciesPBE0 == Not Default ==TZP-
thumbnail.jpeg24-Jul-2020Mo7O24_0H_B3LYPPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
thumbnail.jpeg24-Jul-2020Mo7O23_0H_B3LYPPetrus, EnricADF; 2019FrequenciesB3LYPTZP-
thumbnail.jpeg24-Jul-2020Mo4O13_2H_PBE0Petrus, EnricADF; 2019FrequenciesPBE0 == Not Default ==TZP-
thumbnail.jpeg24-Jul-2020Mo7O23_1H_PBE0Petrus, EnricADF; 2019FrequenciesPBE0 == Not Default ==TZP-
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