Publicaciones en colaboración con investigadores/as de Universidad de Alcalá (28)

2023

  1. Analysis of microsamples by miniaturized magnetic-based pipette tip microextraction: determination of free cortisol in serum and urine from very low birth weight preterm newborns

    Analyst, Vol. 148, Núm. 5, pp. 1050-1057

2021

  1. Chapter 6: Computational Spectroscopy and Photophysics in Complex Biological Systems: Towards an in Silico Photobiology

    RSC Theoretical and Computational Chemistry Series (Royal Society of Chemistry), pp. 202-246

  2. Computational Spectroscopy and Photophysics in Complex Biological Systems: Towards an In Silico Photobiology

    COMPUTATIONAL TECHNIQUES FOR ANALYTICAL CHEMISTRY AND BIOANALYSIS (ROYAL SOC CHEMISTRY), pp. 202-246

  3. Microscopic interactions between ivermectin and key human and viral proteins involved in SARS-CoV-2 infection

    Physical Chemistry Chemical Physics, Vol. 23, Núm. 40, pp. 22957-22971

2020

  1. Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches

    Journal of Proteome Research, Vol. 19, Núm. 11, pp. 4291-4315

  2. Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses

    Journal of Physical Chemistry Letters, Vol. 11, Núm. 14, pp. 5661-5667

  3. Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2. Effects of Possible Ligands

    The journal of physical chemistry letters, Vol. 11, Núm. 21, pp. 9272-9281

  4. Trans -to- cis photoisomerization of cyclocurcumin in different environments rationalized by computational photochemistry

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 8, pp. 4749-4757

2019

  1. Induced Night Vision by Singlet-Oxygen-Mediated Activation of Rhodopsin

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 22, pp. 7133-7140

  2. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

  3. Ultrafast dynamics in polycyclic aromatic hydrocarbons: The key case of conical intersections at higher excited states and their role in the photophysics of phenanthrene monomer

    Physical Chemistry Chemical Physics, Vol. 21, Núm. 31, pp. 16981-16988

2018

  1. Comparative Studies of Oxidation Processes on Group 10 Metals Dithiolene Derivatives in the Formation of Coordination Polymers

    Crystal Growth and Design, Vol. 18, Núm. 4, pp. 2486-2494

2017

  1. Group 10 Metal Benzene-1,2-dithiolate Derivatives in the Synthesis of Coordination Polymers Containing Potassium Countercations

    Inorganic Chemistry, Vol. 56, Núm. 19, pp. 11810-11818

2016

  1. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

    Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541

  2. Unprecedented layered coordination polymers of dithiolene group 10 metals: Magnetic and electrical properties

    Dalton Transactions, Vol. 45, Núm. 15, pp. 6696-6701

2015

  1. Coordination polymers based on diiron tetrakis(dithiolato) bridged by alkali metals, electrical bistability around room temperature, and strong antiferromagnetic coupling

    Inorganic Chemistry, Vol. 54, Núm. 5, pp. 2243-2252

  2. Novel cancer chemotherapy hits by molecular topology: Dual Akt and beta-catenin inhibitors

    PLoS ONE, Vol. 10, Núm. 4

2014

  1. Alkyl chlorido hydridotris(3,5-dimethylpyrazolyl)borate imido niobium and tantalum(v) complexes: Synthesis, conformational states of alkyl groups in solid and solution, X-ray diffraction and multinuclear magnetic resonance spectroscopy studies

    Dalton Transactions, Vol. 43, Núm. 15, pp. 5747-5758

  2. New insights into the chemistry of di- and trimetallic iron dithiolene derivatives. Structural, Mössbauer, magnetic, electrochemical and theoretical studies

    Dalton Transactions, Vol. 43, Núm. 35, pp. 13187-13195

2013

  1. Electrical bistability around room temperature in an unprecedented one-dimensional coordination magnetic polymer

    Inorganic Chemistry, Vol. 52, Núm. 10, pp. 5943-5950