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Issue DateTitleAuthor(s)
8-Jun-2021Engineering a light-driven cyanine based molecular rotor to enhance the sensitivity towards a viscous medium.Kachwal, Vishal; Srivastava, Abhilasha; Thakar, Sumukh; Zubiria-Ulacia, Maria; Gautam, Diplesh; Majumder, Syamantak; Venkatesh, K.P.; Casanova i Casas, David; Chowdhury, Rajdeep; Rath, Nigam P.; Mukherjee, Sudeshn; Alemany i Cahner, Pere; Laskar, Inamur Rahaman
6-Aug-2021Chemical ordering in Pt-Au, Pt-Ag and Pt-Cu nanoparticles from density functional calculations using a topological approachVega Dominguez, Lorena; Aleksandrov, Hristiyan A.; Farris, Riccardo; Bruix, Albert; Viñes Solana, Francesc; Neyman, Konstantin M.
5-Jul-2021Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetismFumanal Quintana, María; Jornet Somoza, Joaquim; Vela Llausí, Sergi; Novoa Vide, Juan J.; Ribas Ariño, Jordi; Deumal i Solé, Mercè
22-Jul-2021Low temperature structures and magnetic interactions in the organic-based ferromagnetic and metamagnetic polymorphs of decamethylferrocenium 7,7,8,8-tetracyano- p-quinodimethanide, [FeCp*2]¿+[TCNQ]¿−Lapidus, Saul H.; Stephens, Peter W.; Fumanal Quintana, María; Ribas Ariño, Jordi; Novoa Vide, Juan J.; DaSilva, Jack G.; Rheingold, Arnold L.; Miller, Joel S.
1-May-2020Energy transfer, structural and luminescent properties of the color tunable Phosphor Y2WO6:Sm3+Espinoza, D.; Allan, N.L.; Castillo, R.; Conejeros Espíndola, Sergio; Brito, I.; Martin, I. R.; Alemany i Cahner, Pere; Llanos, Jaime
8-Aug-2021Mixed-valence gold bis (diselenolene) complex turning metallic under pressure.Le Gal, Yann; Cui, Hengbo; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Kato, Reizo; Roisnel, Thierry; Dorcet, Vincent; Fourmigué, M.; Lorcy, Dominique
27-Jul-2021Rich Polymorphism of Layered NbS3Conejeros Espíndola, Sergio; Guster, Bogdan; Alemany i Cahner, Pere; Pouget, Jean-Paul; Canadell, Enric, 1950-
25-Feb-2021Conducting chiral nickel(II) bis(dithiolene) complexes: structural and electron transport modulation with the charge and the number of stereogenic centresAbhervé, Alexandre; Mroweh, Nabil; Cauchy, Thomas; Pop, Flavia; Cui, Hengbo; Kato, Reizo; Vanthuyne, Nicolas; Alemany i Cahner, Pere; Canadell, Enric, 1950-; Avarvari, Narcis
18-Jun-2020Assessment of the SCAN Functional for Spin-State Energies in Spin-Crossover SystemsCirera Fernández, Jordi; Ruiz Sabín, Eliseo
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