Category Archives: Publications

Solid–Liquid Interfacial Free Energy from Computer Simulations: Challenges and Recent Advances

N. Di Pasquale, J.s Algaba, P. Montero de Hijes, I. Sánchez-Burgos, A. R. Tejedor, S. [...]

Introducing the Aziridination of Fluorinated Olefins by Metal-Catalyzed Nitrene Transfer

J. Pérez-Ruiz, A. Rosales Martínez, M. M. Díaz-Requejo, P. J. Pérez. Angew. Chem., 2025 https://doi.org/10.1002/anie.202419188 [...]

PM₁₀-bound elements in Luanda’s urban atmosphere: Concentrations, sources, and their environmental and health impacts

C. A. Alves, A. Sánchez de la Campa, Y. Cipoli, L. Furst. G. Higawa, A. [...]

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 [...]