Suivre
Antonio Monari
Antonio Monari
Université Paris Cité and CNRS, ITODYS
Adresse e-mail validée de u-paris.fr
Titre
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Année
Toward a quantitative assessment of electronic transitions’ charge-transfer character
T Etienne, X Assfeld, A Monari
Journal of chemical theory and computation 10 (9), 3896-3905, 2014
1822014
A new record excited state 3 MLCT lifetime for metalorganic iron (II) complexes
L Liu, T Duchanois, T Etienne, A Monari, M Beley, X Assfeld, S Haacke, ...
Physical Chemistry Chemical Physics 18 (18), 12550-12556, 2016
1682016
New insight into the topology of excited states through detachment/attachment density matrices-based centroids of charge
T Etienne, X Assfeld, A Monari
Journal of Chemical Theory and Computation 10 (9), 3906-3914, 2014
1462014
An Iron‐Based Photosensitizer with Extended Excited‐State Lifetime: Photophysical and Photovoltaic Properties
T Duchanois, T Etienne, C Cebrián, L Liu, A Monari, M Beley, X Assfeld, ...
European Journal of Inorganic Chemistry 2015 (14), 2469-2477, 2015
1312015
Theoretical modeling of large molecular systems. Advances in the local self consistent field method for mixed quantum mechanics/molecular mechanics calculations
A Monari, JL Rivail, X Assfeld
Accounts of chemical research 46 (2), 596-603, 2013
1142013
Benzophenone ultrafast triplet population: revisiting the kinetic model by surface-hopping dynamics
M Marazzi, S Mai, D Roca-Sanjuán, MG Delcey, R Lindh, L González, ...
The Journal of Physical Chemistry Letters 7 (4), 622-626, 2016
1132016
Lipid peroxidation in membranes: the peroxyl radical does not “float”
J Garrec, A Monari, X Assfeld, LM Mir, M Tarek
The Journal of Physical Chemistry Letters 5 (10), 1653-1658, 2014
922014
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
852018
Understanding DNA under oxidative stress and sensitization: The role of molecular modeling
E Dumont, A Monari
Frontiers in chemistry 3, 43, 2015
772015
Molecular basis of SARS-CoV-2 infection and rational design of potential antiviral agents: modeling and simulation approaches
A Frances-Monerris, C Hognon, T Miclot, C Garcia-Iriepa, I Iriepa, ...
Journal of Proteome Research 19 (11), 4291-4315, 2020
732020
3, 5-Bis (ethynyl) pyridine and 2, 6-bis (ethynyl) pyridine spanning two Fe (Cp*)(dppe) units: role of the nitrogen atom on the electronic and magnetic couplings
K Costuas, O Cador, F Justaud, S Le Stang, F Paul, A Monari, ...
Inorganic Chemistry 50 (24), 12601-12622, 2011
712011
Interfacial charge separation and photovoltaic efficiency in Fe (II)–carbene sensitized solar cells
M Pastore, T Duchanois, L Liu, A Monari, X Assfeld, S Haacke, PC Gros
Physical Chemistry Chemical Physics 18 (40), 28069-28081, 2016
652016
Resolving the benzophenone DNA-photosensitization mechanism at QM/MM level
E Dumont, M Wibowo, D Roca-Sanjuán, M Garavelli, X Assfeld, A Monari
The journal of physical chemistry letters 6 (4), 576-580, 2015
652015
Probing the reactivity of singlet oxygen with purines
E Dumont, R Grüber, E Bignon, C Morell, Y Moreau, A Monari, JL Ravanat
Nucleic acids research 44 (1), 56-62, 2016
642016
Spectral properties of polypyridyl Ruthenium complex intercalated in DNA: theoretical insights on the surroundings effect for [Ru (dppz)(bpy) 2] 2+
T Very, S Despax, P Hébraud, A Monari, X Assfeld
Phys. Chem. Chem. Phys., 2012
63*2012
A QM/MM study on the spinach plastocyanin: redox properties and absorption spectra
A Monari, T Very, JL Rivail, X Assfeld
Computational and Theoretical Chemistry, 2011
632011
Heteroleptic Pyridyl‐Carbene Iron Complexes with Tuneable Electronic Properties
T Duchanois, T Etienne, M Beley, X Assfeld, EA Perpète, A Monari, ...
European Journal of Inorganic Chemistry 2014 (23), 3747-3753, 2014
602014
Recent advances in iron-complexes as drug candidates for cancer therapy: Reactivity, mechanism of action and metabolites
M Bouché, C Hognon, S Grandemange, A Monari, PC Gros
Dalton Transactions 49 (33), 11451-11466, 2020
582020
Photophysical properties of ruthenium (II) polypyridyl DNA intercalators: effects of the molecular surroundings investigated by theory
T Véry, D Ambrosek, M Otsuka, C Gourlaouen, X Assfeld, A Monari, ...
Chemistry–A European Journal 20 (40), 12901-12909, 2014
572014
Theoretical Study of New Ruthenium-Based Dyes for Dye-Sensitized Solar Cells
A Monari, X Assfeld, M Beley, PC Gros
The Journal of Physical Chemistry A 115 (15), 3596-3603, 2011
572011
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