Antonio Francés-Monerris
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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
372018
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
362017
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
232018
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
232018
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
232014
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
202016
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
192018
Mechanism of activated chemiluminescence of cyclic peroxides: 1, 2-dioxetanes and 1, 2-dioxetanones
FA Augusto, A Francés-Monerris, IF Galván, D Roca-Sanjuán, EL Bastos, ...
Physical Chemistry Chemical Physics 19 (5), 3955-3962, 2017
182017
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
182015
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
172017
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 (2), 1-15, 2016
172016
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
152019
Communication: Electronic UV-Vis transient spectra of the· OH reaction products of uracil, thymine, cytosine, and 5, 6-dihydrouracil by using the complete active space self …
A Francés-Monerris, M Merchán, D Roca-Sanjuán
The Journal of Chemical Physics 139 (7), 08B401_1, 2013
152013
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
142019
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
112020
Triplet photosensitization mechanism of thymine by an oxidized nucleobase: from a dimeric model to DNA environment
A Francés-Monerris, C Hognon, MA Miranda, V Lhiaubet-Vallet, A Monari
Physical Chemistry Chemical Physics 20 (40), 25666-25675, 2018
112018
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
M Nazari, CD Bösch, A Rondi, A Francés-Monerris, M Marazzi, E Lognon, ...
Physical Chemistry Chemical Physics 21 (31), 16981-16988, 2019
102019
Hypoxia-Selective Dissociation Mechanism of a Nitroimidazole Nucleoside in a DNA Environment
A Francés-Monerris, I Tuñón, A Monari
The Journal of Physical Chemistry Letters 10 (20), 6750−6754, 2019
92019
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
82020
Photophysical properties of bichromophoric Fe (II) complexes bearing an aromatic electron acceptor
A Francés-Monerris, PC Gros, M Pastore, X Assfeld, A Monari
Theoretical Chemistry Accounts 138 (7), 1-12, 2019
82019
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