| NHC-based iron sensitizers for DSSCs T Duchanois, L Liu, M Pastore, A Monari, C Cebrián, Y Trolez, M Darari, ... Inorganics 6 (2), 63, 2018 | 72 | 2018 |
| Molecular Basis of SARS-CoV-2 Infection and Rational Design of Potential Antiviral Agents: Modeling and Simulation Approaches A Francés-Monerris, C Hognon, T Miclot, C García-Iriepa, I Iriepa, ... Journal of Proteome Research 19 (11), 4291–4315, 2020 | 67 | 2020 |
| Thermochromic Fluorescence from B18H20(NC5H5)2: An Inorganic–Organic Composite Luminescent Compound with an Unusual Molecular Geometry MGS Londesborough, J Dolanský, L Cerdan, K Lang, T Jelínek, JM Oliva, ... Advanced Optical Materials 5 (6), 1600694, 2017 | 56 | 2017 |
| Photochemistry of oxidized Hg (I) and Hg (II) species suggests missing mercury oxidation in the troposphere A Saiz-Lopez, O Travnikov, JE Sonke, CP Thackray, DJ Jacob, ... Proceedings of the National Academy of Sciences USA 117 (49), 30949-30956, 2020 | 46 | 2020 |
| Photodissociation mechanisms of major Hg (II) species in the atmospheric chemical cycle of mercury A Francés-Monerris, J Carmona-García, U Acuña, J Dávalos, C Cuevas, ... Angewandte Chemie International Edition 59, 7605-7610, 2020 | 46 | 2020 |
| Mechanism of activated chemiluminescence of cyclic peroxides: 1, 2-dioxetanes and 1, 2-dioxetanones FA Augusto, A Francés-Monerris, IF Galvan, D Roca-Sanjuan, EL Bastos, ... Physical Chemistry Chemical Physics 19 (5), 3955-3962, 2017 | 40 | 2017 |
| Substitution of the laser borane anti-B 18 H 22 with pyridine: a structural and photophysical study of some unusually structured macropolyhedral boron hydrides MGS Londesborough, J Dolanský, T Jelínek, JD Kennedy, I Císařová, ... Dalton Transactions 47 (5), 1709-1725, 2018 | 36 | 2018 |
| Synthesis and computational study of a pyridylcarbene Fe (II) complex: unexpected effects of fac/mer isomerism in metal-to-ligand triplet potential energy surfaces A Francés-Monerris, K Magra, M Darari, C Cebrián, M Beley, ... Inorganic Chemistry 57 (16), 10431-10441, 2018 | 35 | 2018 |
| Iron (II) complexes with diazinyl-NHC ligands: Impact of Pi-deficiency of the azine core on photophysical properties M Darari, E Domenicchini, A Francés-Monerris, CC Ávila, K Magra, ... Dalton Transactions 48, 10915-10926, 2019 | 34 | 2019 |
| Impact of the fac/mer Isomerism on the Excited-State Dynamics of Pyridyl-carbene Fe(II) Complexes K Magra, E Domenichini, A Francés-Monerris, C Cebrian, M Beley, ... Inorganic Chemistry 58 (8), 5069-5081, 2019 | 33 | 2019 |
| Thermodynamics of the Interaction between the Spike Protein of Severe Acute Respiratory Syndrome Coronavirus-2 and the Receptor of Human Angiotensin-Converting Enzyme 2 … C García-Iriepa, C Hognon, A Francés-Monerris, I Iriepa, T Miclot, ... The Journal of Physical Chemistry Letters 11, 9272-9281, 2020 | 32 | 2020 |
| Dynamics of the excited-state hydrogen transfer in a (dG)·(dC) homopolymer: intrinsic photostability of DNA A Francés-Monerris, H Gattuso, D Roca-Sanjuán, I Tuñón, M Marazzi, ... Chemical Science 9 (41), 7902-7911, 2018 | 31 | 2018 |
| Photoinduced intersystem crossing in DNA oxidative lesions and epigenetic intermediates A Francés-Monerris, M Lineros-Rosa, MA Miranda, V Lhiaubet-Vallet, ... Chemical Communications 56 (32), 4404-4407, 2020 | 30 | 2020 |
| Role of RNA Guanine Quadruplexes in Favoring the Dimerization of SARS Unique Domain in Coronaviruses C Hognon, T Miclot, CG Iriepa, A Francés-Monerris, S Grandemange, ... The Journal of Physical Chemistry Letters 11, 5661-5667, 2020 | 29 | 2020 |
| Theoretical Study of the Hydroxyl Radical Addition to Uracil and Photochemistry of the Formed U6OH• Adduct A Frances-Monerris, M Merchan, D Roca-Sanjuan The Journal of Physical Chemistry B 118 (11), 2932-2939, 2014 | 29 | 2014 |
| Assessment of the potential energy hypersurfaces in thymine within multiconfigurational theory: CASSCF vs. CASPT2 J Segarra-Martí, A Francés-Monerris, D Roca-Sanjuán, M Merchán Molecules 21 (12), 1666, 2016 | 28 | 2016 |
| Theoretical study on the excited-state π-stacking versus intermolecular hydrogen-transfer processes in the guanine–cytosine/cytosine trimer A Frances-Monerris, J Segarra-Marti, M Merchan, D Roca-Sanjuan Theoretical Chemistry Accounts 135, 1-15, 2016 | 28 | 2016 |
| Mechanism of the OH radical addition to adenine from quantum-chemistry determinations of reaction paths and spectroscopic tracking of the intermediates A Francés-Monerris, M Merchán, D Roca-Sanjuán The Journal of Organic Chemistry 82 (1), 276-288, 2017 | 25 | 2017 |
| Effect of Iodination on the Photophysics of the Laser Borane anti-B18H22: Generation of Efficient Photosensitizers of Oxygen MGS Londesborough, J Dolanský, J Bould, J Braborec, K Kirakci, K Lang, ... Inorganic Chemistry 58 (15), 10248-10259, 2019 | 24 | 2019 |
| Complete-active-space second-order perturbation theory (CASPT2//CASSCF) study of the dissociative electron attachment in canonical DNA nucleobases caused by low-energy … A Francés-Monerris, J Segarra-Martí, M Merchán, D Roca-Sanjuán The Journal of Chemical Physics 143 (21), 215101, 2015 | 22 | 2015 |
