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Issue Date	Title	Author(s)
7-Feb-2017	Testing the effectiveness of the isoelectronic substitution principle through the transformation of aromatic osmathiophene derivatives into their inorganic analogues	Vásquez Espinal, Alejandro; Poater i Teixidor, Jordi; Solà, Miquel; Tiznado, Willian; Islas, Rafael
13-Apr-2017	Analysis of the acting forces in a theory of catalysis and mechanochemistry	Quapp, Wolfgang; Bofill i Villà, Josep M.; Ribas Ariño, Jordi
3-Apr-2017	The role of Li+ ions in the gas phase dehydrohalogenation and dehydration reactions of i-C3H7Br and i-C3H7OH molecules studied by radiofrequency-guided ion beams techniques and ab initio methods	López Marne, Estefanía; Lucas Alcorta, José María; Andrés Llopis, Jaime de; Albertí i Wirsing, Margarida; Bofill i Villà, Josep M.; Aguilar Navarro, Antonio
Jun-2017	Assessing the ability of DFT methods to describe static electron correlation effects: CO core level binding energies as a representative case	Pueyo Bellafont, Noèlia; Bagus, Paul S.; Sousa Romero, Carmen; Illas i Riera, Francesc
1-Aug-2017	An algorithm to locate optimal bond breaking points on a potential energy surface for applications in mechanochemistry and catalysis	Bofill i Villà, Josep M.; Ribas Ariño, Jordi; García, Sergio Pablo; Quapp, Wolfgang
7-Feb-2017	Structural properties, Judd-Ofelt calculations, and near infrared to visible photon up-conversion in Er3+/Yb3+ doped BaTiO3 phosphors under excitation at 1500 nm	Vega, M.; Alemany i Cahner, Pere; Martin, I. R.; Llanos, Jaime
1-Oct-2017	Identification of Potential Small Molecule Binding Pockets in p38 alpha MAP Kinase	Gómez Gutiérrez, Patrícia; Rubio Martínez, Jaime; Perez, Juan J.
1-Nov-2017	Effect of the solvent on the conformational behavior of the alanine dipeptide deduced from MD simulations	Rubio Martínez, Jaime; Santos Tomas, M.; Perez, Juan J.