Category Archives: Publications
Three-phase equilibria of hydrates from computer simulation. I. Finite-size effects in the methane hydrate
S. Blázquez, J. Algaba, J. M. Míguez, C. Vega, F. J. Blas, and M. M. [...]
Prediction of the univariant two-phase coexistence line of the tetrahydrofuran hydrate from computer simulation
J. Algaba, C. Romero-Guzmán, M. J. Torrejón, and F. J. Blas. J. Chem. Phys., 2024, [...]
A copper-masked monosubstituted carbene as a general transmetalating agent toward stable carbene complexes
M. Álvarez, F. Villalba, M. Casciotti, F. Molina, G. Sciortino, A. Lledós, A. C. Albéniz, [...]
Indoor PM from residential coal combustion: Levels, chemical composition, and toxicity
E. D. Vicente, A. I.Calvo, T. Sainnokhoi, N. Kováts, A. Sánchez de la Campa, J. [...]
Transport properties of the square-well fluid from molecular dynamics simulation
M. Zerón,M. Cueto-Mora, F. J. BlasMol. Phys. 2024,DOI: 10.1080/00268976.2024.2302385 In this work, we have calculated [...]
Introducing 1,3-enyne functionalization by nitrene transfer reaction
M. Rodríguez, G. Sciortino, L. Muñoz-Gutiérrez, F. Molina, F. Maseras, M. Mar Díaz-Requejo, Pedro J. Pérez https://doi.org/10.1016/j.checat.2023.100865 In the context of carbon–nitrogen bond formation, metal-catalyzed nitrene transfer [...]
Azaborahelicene fluorophores derived from four-coordinate N,C-boron chelates: synthesis, photophysical and chiroptical properties
Vázquez-Domínguez, J. F. Rizo, J. F. Arteaga, D. Jacquemin, L. Favereau, A. Ros, U. Pischel. [...]
Molecular Dynamic Simulations of Aqueous Micellar Organometallic Catalysis: Methane Functionalization as a Case Study
Matamoros-Recio, E. Alonso-Rueda, E. Borrego, A. Caballero, S. Martín-Santamaría, P. J. PérezAngew. Chem. Int. Ed.2023, [...]
BASHY Dyes Are Highly Efficient Lipid Droplet-Targeting Photosensitizers that Induce Ferroptosis through Lipid Peroxidation
J. S. A. Silva, Y. Zhang, R. Vinck, F. M. F. Santos, J. P. M. [...]
Aerial monitoring of atmospheric particulate matter produced by open-pit mining using low-cost airborne sensors
Zafra-Pérez, C. Boente, M. García-Díaz, J. A. Gómez-Galán, A. Sánchez de la Campa, J. D. de la Rosa https://doi.org/10.1016/j.scitotenv.2023.166743 Mining is an economic activity [...]