Search Results (All Fields:"principles", isMemberOf:"bibliuned:Setarticulo", Author:"Gavira-Vallejo, José María")

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Romero-Muniz, Carlos, Gavira-Vallejo, José María, Merkling, Patrick y Calero, Sofía . (2020) Impact of Small Adsorbates in the Vibrational Spectra of Mg- and Zn-MOF-74 Revealed by First-Principles Calculations.  4.30 41 16
Romero-Muñiz, Carlos, Paredes-Roibás, Denís, Hernanz, Antonio y Gavira-Vallejo, José María . (2019) A comprehensive study of the molecular vibrations in solid-state benzylic amide [2]catenane.  4.19 42 11
Romero-Muñiz, Carlos, Paredes-Roibás, Denís, López, Concepción, Hernanz, Antonio y Gavira-Vallejo, José María . (2018) Assignment of the Raman Spectrum of Benzylic Amide [2]Catenane: Raman Microscopy Experiments and First-Principles Calculations.  3.80 44 15