Category Archives: Publications
On the interfacial properties of hydroquinone: Realistic and coarse-grained molecular models from computer simulation
M. J. Torrejón, B. Rodríguez García, J. Algaba, J. M. Olmos, M. Pérez-Rodríguez, J. M. [...]
Homogeneous nucleation rate of carbon dioxide hydrate formation under experimental conditions from Seeding simulations
I. M. Zerón, J. Algaba, J. M. Míguez, J. Grabowska, S. Blázquez, E. Sanz, C. [...]
Efficient Synthesis of Amino Lactones via Copper-catalysed Alkene Aminooxygenation
M. Casciotti, J. M. Muñoz-Molina, T. R. Belderrain, P. J. Pérez. Advanced Synthesis & Catalysis, [...]
Solubility and dissociation of ionic liquids in epoxides and cyclic carbonate by molecular dynamics simulation
S. Dorado-Alfaro, E. Hernández, J. Algaba, P. Navarro, F. J. Blas, J. Palomar, J. Mol. [...]
Three-Phase Equilibria of CO2 Hydrate from Computer Simulation in the Presence of NaCl
A. Borrero, A. Díaz-Acosta, S. Blázquez, I. M. Zerón, J. Algaba, M. M. Conde, F. [...]
Toxicity Assessment of River Sediments Impacted by Open-Pit Coal Mining in Colombia Using Caenorhabditis elegans
M. Durán-Izquierdo, J. de la Rosa, J. Olivero-Verbel, Water, Air, & Soil Pollut., 2025 https://link.springer.com/article/10.1007/s11270-025-07736-2 [...]
Impurity Behavior in Cast Copper Anodes: Implications for Electrorefining in a Circular Economy
A. Morales-Aragón, D. Sánchez-Rodas, G. Ríos, M. S. Moats. Metals, 2025 https://doi.org/10.3390/met15020113 The behavior of [...]
Impurity Behavior in Cast Copper Anodes: Implications for Electrorefining in a Circular Economy
A. Morales-Aragón, D. Sánchez-Rodas, G. Ríos, M. S. Moats, Metals, 2025 https://www.mdpi.com/2075-4701/15/2/113 The behavior of [...]
Copper and Silver Trispyrazolylborate-Phosphinoazide Complexes: Synthesis, Characterization, and Nitrene Generation
M. R. Rodríguez, F. Molina, M. M. Díaz-Requejo, and P. J. Pérez. Inorg. Chem., 2025, [...]
Alkanes C1–C6 C–H Bond Activation via a Barrierless Potential Energy Path: Trifluoromethyl Carbenes Enhance Primary C–H Bond Functionalization
J. Martínez-Laguna, J. Altarejos, M. Á. Fuentes, G. Sciortino, F. Maseras, J. Carreras, A. Caballero, [...]