Publicacións nas que colabora con Dimas Suárez Rodríguez (6)

2024

  1. Pyrolytic conversion of glucose into hydroxymethylfurfural and furfural: Benchmark quantum-chemical calculations

    Journal of Computational Chemistry, Vol. 45, Núm. 32, pp. 2991-3003

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

  2. Speciation of organoarsenicals in aqueous solutions by Raman spectrometry and quantum chemical calculations

    Microchemical Journal, Vol. 175

  3. pH-dependent structural changes of arsenic oxoacids in solution and solid phase: Raman spectrometry and computational studies

    Microchemical Journal, Vol. 175

2021

  1. New models involving quantum chemical parameters for assessing the chromatographic retention process

    Microchemical Journal, Vol. 170

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