Influence of Defects in Boron Nitride Nanotubes in the Adsorption of Molecules. Insights from B3LYP-D2* Periodic Simulations

by Oriol Matarín, Albert Rimola
Published 2016-05-01

Gas-Phase and Microsolvated Glycine Interacting with Boron Nitride Nanotubes. A B3LYP-D2* Periodic Study

by Albert Rimola, Mariona Sodupe
Published 2014-06-01

Prebiotic Peptide Bond Formation Through Amino Acid Phosphorylation. Insights from Quantum Chemical Simulations

by Berta Martínez-Bachs, Albert Rimola
Published 2019-09-01

Role of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical Studies

by Albert Rimola, Mariona Sodupe, Piero Ugliengo
Published 2019-01-01

Formation of Interstellar Silicate Dust via Nanocluster Aggregation: Insights From Quantum Chemistry Simulations

by Albert Rimola, Stefan T. Bromley, Stefan T. Bromley
Published 2021-04-01

Interaction of HCO+ Cations With Interstellar Negative Grains. Quantum Chemical Investigation and Astrophysical Implications

by Albert Rimola, Cecilia Ceccarelli, Nadia Balucani, Piero Ugliengo
Published 2021-04-01

Multiscale Computational Simulation of Amorphous Silicates’ Structural, Dielectric, and Vibrational Spectroscopic Properties

by José Ángel Martínez-González, Javier Navarro-Ruiz, Albert Rimola
Published 2018-08-01

Computational Surface Modelling of Ices and Minerals of Interstellar Interest—Insights and Perspectives

by Albert Rimola, Stefano Ferrero, Aurèle Germain, Marta Corno, Piero Ugliengo
Published 2021-12-01

Adsorption of Pharmaceuticals onto Smectite Clay Minerals: A Combined Experimental and Theoretical Study

by Gwenaëlle Corbin, Emmanuelle Vulliet, Bruno Lanson, Albert Rimola, Pierre Mignon
Published 2021-01-01

Does Processing or Formation of Water Ice Mantles Affect the Capacity of Nanosilicates to Be the Source of Anomalous Microwave Emission?

by Joan Mariñoso Guiu, Stefano Ferrero, Antonio Macià Escatllar, Albert Rimola, Stefan T. Bromley, Stefan T. Bromley
Published 2021-05-01

Water Adsorption on MO2 (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects

by Danilo González, Javier Heras-Domingo, Stefano Pantaleone, Albert Rimola, Luis Rodríguez-Santiago, Xavier Solans-Monfort, Mariona Sodupe
Published 2019-02-01