Publicaciones en las que colabora con Antonio Monari (29)

2022

  1. Bidentate Pyridyl-NHC Ligands: Synthesis, Ground and Excited State Properties of Their Iron(II) Complexes and the Role of the fac/mer Isomerism

    European Journal of Inorganic Chemistry, Vol. 2022, Núm. 7

  2. Spatial and Temporal Resolution of the Oxygen-Independent Photoinduced DNA Interstrand Cross-Linking by a Nitroimidazole Derivative

    Journal of Chemical Information and Modeling, Vol. 62, Núm. 13, pp. 3239-3252

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. DNA Photodamage and Repair: Computational Photobiology in Action

    Challenges and Advances in Computational Chemistry and Physics (Springer Science and Business Media B.V.), pp. 293-332

  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

  4. Photochemistry, chemiluminescence and dark photochemistry: Computational advances (2018-2019)

    Photochemistry (Royal Society of Chemistry), pp. 24-70

  5. Triplet stabilization for enhanced drug photorelease from sunscreen-based photocages

    Organic and Biomolecular Chemistry, Vol. 19, Núm. 8, pp. 1752-1759

2020

  1. Experimental and theoretical studies on thymine photodimerization mediated by oxidatively generated DNA lesions and epigenetic intermediates

    Physical Chemistry Chemical Physics, Vol. 22, Núm. 44, pp. 25661-25668

  2. Iron's Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex

    Molecules (Basel, Switzerland), Vol. 25, Núm. 13

  3. 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

  4. Photoinduced DNA Lesions in Dormant Bacteria: The Peculiar Route Leading to Spore Photoproducts Characterized by Multiscale Molecular Dynamics**

    Chemistry - A European Journal, Vol. 26, Núm. 62, pp. 14236-14241

  5. Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates

    Chemical Communications, Vol. 56, Núm. 32, pp. 4404-4407

  6. Photophysical Investigation of Iron(II) Complexes Bearing Bidentate Annulated Isomeric Pyridine-NHC Ligands

    Journal of Physical Chemistry C, Vol. 124, Núm. 34, pp. 18379-18389

  7. 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

  8. 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

  9. Towards Iron(II) Complexes with Octahedral Geometry: Synthesis, Structure and Photophysical Properties

    Molecules (Basel, Switzerland), Vol. 25, Núm. 24

  10. 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. Hypoxia-Selective Dissociation Mechanism of a Nitroimidazole Nucleoside in a DNA Environment

    Journal of Physical Chemistry Letters, Vol. 10, Núm. 21, pp. 6750-6754

  2. Impact of the fac/ mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes

    Inorganic Chemistry, Vol. 58, Núm. 8, pp. 5069-5081

  3. Iron(ii) complexes with diazinyl-NHC ligands: Impact of π-deficiency of the azine core on photophysical properties

    Dalton Transactions, Vol. 48, Núm. 29, pp. 10915-10926