Albert Rimola

Overview

Best Publications

• Silica Surface Features and Their Role in the Adsorption of Biomolecules: Computational Modeling and Experiments

  Albert Rimola;Dominique Costa;Mariona Sodupe;Jean-François Lambert

  686
  Citations

• Design, selection, and characterization of thioflavin-based intercalation compounds with metal chelating properties for application in Alzheimer's disease.

  Cristina Rodríguez-Rodríguez;Natalia Sánchez de Groot;Albert Rimola;Ángel Álvarez-Larena

  249
  Citations

• Seeds Of Life In Space (SOLIS): The Organic Composition Diversity at 300–1000 au Scale in Solar-type Star-forming Regions*

  C. Ceccarelli;P. Caselli;F. Fontani;R. Neri

  161
  Citations

• Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules

  Marta Corno;Albert Rimola;Vera Bolis;Piero Ugliengo

  158
  Citations

• Seeds of Life in Space (SOLIS) II. Formamide in protostellar shocks: Evidence for gas-phase formation

  C. Codella;C. Ceccarelli;C. Ceccarelli;P. Caselli;N. Balucani;N. Balucani

  138
  Citations

• Affinity Scale for the Interaction of Amino Acids with Silica Surfaces

  Albert Rimola;Mariona Sodupe;Piero Ugliengo

  137
  Citations

• Combined quantum chemical and modeling study of CO hydrogenation on water ice

  Albert Rimola;Vianney Taquet;Piero Ugliengo;Nadia Balucani

  131
  Citations

• Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces.

  Albert Rimola;Marta Corno;Claudio Marcelo Zicovich-Wilson;Piero Ugliengo

  124
  Citations

• Seeds Of Life In Space (SOLIS): The organic composition diversity at 300--1000 au scale in Solar-type star forming regions

  C. Ceccarelli;P. Caselli;F. Fontani;R. Neri

  116
  Citations

• 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;Luis Rodríguez-Santiago;Mariona Sodupe

  116
  Citations

• Six-dimensional dynamics study of reactive and non reactive scattering of H2 from Cu(111) using a chemically accurate potential energy surface

  C. Díaz;R. A. Olsen;D. J. Auerbach;G. J. Kroes

  114
  Citations

• Interaction of glycine with isolated hydroxyl groups at the silica surface: first principles B3LYP periodic simulation.

  Albert Rimola;Mariona Sodupe;Sergio Tosoni;Bartolomeo Civalleri

  114
  Citations

• Seeds of Life in Space (SOLIS) III. Formamide in protostellar shocks: evidence for gas-phase formation

  C. Codella;C. Ceccarelli;P. Caselli;N. Balucani

  113
  Citations

• Crystal structure of thioflavin-T and its binding to amyloid fibrils: insights at the molecular level

  Cristina Rodríguez-Rodríguez;Albert Rimola;Luis Rodríguez-Santiago;Piero Ugliengo

  112
  Citations

• Ground and Low-Lying States of Cu2+−H2O. A Difficult Case for Density Functional Methods

  J. Poater;M. Sola;A. Rimola;L. Rodriguez-Santiago

  100
  Citations

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

  Albert Rimola;Mariona Sodupe;Piero Ugliengo

  99
  Citations

• Does Silica Surface Catalyse Peptide Bond Formation? New Insights from First‐Principles Calculations

  Albert Rimola;Sergio Tosoni;Mariona Sodupe;Piero Ugliengo

  94
  Citations

• Binding Energies of Interstellar Molecules on Crystalline and Amorphous Models of Water Ice by Ab Initio Calculations

  Stefano Ferrero;Lorenzo Zamirri;Cecilia Ceccarelli;Arezu Witzel

  92
  Citations

• Aluminosilicate Surfaces as Promoters for Peptide Bond Formation: An Assessment of Bernal's Hypothesis by ab Initio Methods

  Albert Rimola;Mariona Sodupe;Piero Ugliengo

  91
  Citations

• The (impossible?) formation of acetaldehyde on the grain surfaces: insights from quantum chemical calculations

  J. Enrique-Romero;A. Rimola;C. Ceccarelli;C. Ceccarelli;N. Balucani;N. Balucani;N. Balucani

  75
  Citations