Albert Rimola

发表

Adsorption of Atoms on a Crystalline Ice Surface Model: Results from Periodic ab Initio Simulations

Stefano Ferrero, Berta Martínez-Bachs, Joan Enrique-Romero, 2020, ICCSA.

Formamide Dehydration and Condensation on Acidic Montmorillonite: Mechanistic Insights from Ab-Initio Periodic Simulations

Nadia Balucani, Albert Rimola, Pierre Mignon, 2020, ICCSA.

A Combined DFT and RRKM-Based Study on the Reactivity of HCO + NH2 on Amorphous Water Ice Surface

Cecilia Ceccarelli, Joan Enrique-Romero, Albert Rimola, 2020, ICCSA.

In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases

Albert Rimola, Mariona Sodupe, Cristina Rodríguez-Rodríguez, 2011, J. Comput. Aided Mol. Des..

Binding Energies of N-Bearing Astrochemically-Relevant Molecules on Water Interstellar Ice Models. A Computational Study

Stefano Ferrero, Berta Martínez-Bachs, Albert Rimola, 2020, ICCSA.

First-Principles Modeling of Protein/Surface Interactions. Polyglycine Secondary Structure Adsorption on the TiO2 (101) Anatase Surface Adopting a Full Periodic Approach

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2021, J. Chem. Inf. Model..

Ab initio Calculation of Binding Energies of Interstellar Sulphur-Containing Species on Crystalline Water Ice Models

Albert Rimola, Piero Ugliengo, Jessica Perrero, 2021, ICCSA.

In silico study of the interstellar prebiotic formation and delivery of glycine

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2011 .

Glycine Adsorption at Non-Stoichiometric ( 010 ) Hydroxyapatite Surfaces : a B 3 LYP study

Albert Rimola, Piero Ugliengo, Elisa Jimenez-Izal, 2022 .

Glycine Adsorption at Nonstoichiometric (010) Hydroxyapatite Surfaces: A B3LYP Study

Albert Rimola, Piero Ugliengo, Elisa Jimenez-Izal, 2012 .

Deep-space glycine formation via Strecker-type reactions activated by ice water dust mantles. A computational approach.

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2010, Physical chemistry chemical physics : PCCP.

Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments.

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2013, Chemical reviews.

Ground and low-lying states of Cu2+-H2O. A difficult case for density functional methods

Albert Rimola, Miquel Solà, Jordi Poater, 2004 .

Cation-π interactions and oxidative effects on Cu+ and Cu2+ binding to Phe, Tyr, Trp, and his amino acids in the gas phase. Insights from first-principles calculations

Albert Rimola, Mariona Sodupe, Luis Rodríguez-Santiago, 2006 .

Affinity Scale for the Interaction of Amino Acids with Silica Surfaces

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2009 .

COMPUTATIONAL STUDY OF INTERSTELLAR GLYCINE FORMATION OCCURRING AT RADICAL SURFACES OF WATER-ICE DUST PARTICLES

Albert Rimola, Piero Ugliengo, Mariona Sodupe, 2012 .

Does adsorption at hydroxyapatite surfaces induce peptide folding? Insights from large-scale B3LYP calculations.

Massimiliano Aschi, Albert Rimola, Roberto Orlando, 2012, Journal of the American Chemical Society.