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Issue DateTitleAuthor(s)
11-Feb-2020Distortion-Controlled Redshift of Organic Dye MoleculesNarsaria, Ayush K.; Poater i Teixidor, Jordi; Fonseca Guerra, Célia; Ehlers, Andreas W.; Hamlin, Trevor A.; Lammertsma, Koop; Bickelhaupt, F. Matthias
7-Jan-2021Pd single-atom sites on the surface of PdAu nanoparticles: A DFT-based Topological search for suitable compositionsMamatkulov, Mikhail; Yudanov, Ilya; Bukhtiyarov, Andrey V.; Neyman, Konstantin M.
26-May-2020A Semiempirical Method to Detect and Correct DFT-Based Gas-Phase Errors and Its Application in ElectrocatalysisGranda Marulanda, Laura P.; Rendón Calle, Alejandra; Builes, Santiago; Illas i Riera, Francesc; Koper, Marc T. M.; Calle Vallejo, Federico
12-Jun-2021New trimethoprim-like molecules: bacteriological evaluation and insights into their actionJorba, Marta; Pedrola, Marina; Ghashghaei, Ouldouz; Herráez, Rocío; Campos Vicens, Lluís; Luque Garriga, F. Xavier; Lavilla Grífols, Rodolfo; Viñas, Miquel
21-Feb-2021Room temperature conductance switching in a molecular iron(iii) spin crossover junctionKaruppannan, Senthil Kumar; Martín Rodríguez, Alejandro; Ruiz Sabín, Eliseo; Harding, Phimphaka; Harding, David J.; Yu, Xiaojiang; Tadich, Anton; Cowie, Bruce; Qi, Dongchen; Nijhuis, Christian A.
15-Feb-2021A multifunctional Dysprosium-carboxylato 2D metallorganic frameworkGonzález, Jonay; Sevilla, Pablo; Gabarró Riera, Guillem; Jover Modrego, Jesús; Echeverría, Jorge; Fuertes, Sara; Arauzo, Ana; Bartolomé, Elena; Sañudo Zotes, Eva Carolina
6-Aug-2020Crystallization Induced Enhanced Emission in Two New Zn(II) and Cd(II) Supramolecular Coordination Complexes with the 1-(3,4-Dimethylphenyl)-5-Methyl-1H-1,2,3-Triazole-4-Carboxylate LigandNarea, Pilar; Cisterna, Jonathan; Cárdenas, Alejandro; Amo-Ochoa, Pilar; Zamora, Félix; Climent, Clàudia; Alemany i Cahner, Pere; Conejeros, Sergio; Llanos, Jaime; Brito, Iván
20-Apr-2020New insights about the structural properties of κ-(BEDT-TTF)2X2(CN)3 (X=Cu and Ag) Spin LiquidsFoury-Leylekian, P.; Ilakovac, V.; Fertey, P.; Balédent, V.; Milat, O.; Miyagawa, K.; Kanoda, K.; Hiramatsu, T.; Yoshida, Y.; Saito, G.; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Tomic, S.; Pouget, J.P.
7-May-2020Morphology of TiO2 nanoparticles as fingerprint for the transient absorption spectra: implications for photocatalysisMorales García, Ángel; Valero Montero, Rosendo; Illas i Riera, Francesc
2020Pharmacology and preclinical validation of a novel anticancer compound targeting PEPCK-MAragó, Marc; Moreno Felici, Juan; Abás Prades, Sònia; Rodríguez Arévalo, Sergio; Hyrossová, Petra; Figueras, Agnes; Viñals Canals, Francesc; Pérez, Belén; Loza, María Isabel; Brea, José; Latorre, Pedro; Carrodeguas, Jose A.; García-Roves, Pablo M. (Pablo Miguel); Galdeano, Carlos; Ginex, Tiziana; Luque Garriga, F. Xavier; Escolano Mirón, Carmen; Perales Losa, Carlos