Publicaciones en las que colabora con Natalia Díaz Fernández (5)

2022

  1. QM/MM Energy Decomposition Using the Interacting Quantum Atoms Approach

    Journal of Chemical Information and Modeling, Vol. 62, Núm. 6, pp. 1510-1524

2020

  1. Alkali and Alkaline-Earth Cations in Complexes with Small Bioorganic Ligands: Ab Initio Benchmark Calculations and Bond Energy Decomposition

    ChemPhysChem, Vol. 21, Núm. 1, pp. 99-112

2006

  1. Assessing the protonation state of drug molecules: The case of aztreonam

    Journal of Medicinal Chemistry, Vol. 49, Núm. 11, pp. 3235-3243

2004

  1. Zn2+ catalysed hydrolysis of β-lactams: Experimental and theoretical studies on the influence of the β-lactam structure

    New Journal of Chemistry, Vol. 28, Núm. 1, pp. 15-25

2003

  1. A Combined Theoretical and Experimental Research Project into the Aminolysis of β-Lactam Antibiotics: The Importance of Bifunctional Catalysis

    European Journal of Organic Chemistry, pp. 4161-4172