| 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 | 106 | 2016 |
| E/Z Photochemical switches: syntheses, properties and applications C Garcia-Iriepa, M Marazzi, LM Frutos, D Sampedro RSC advances 3 (18), 6241-6266, 2013 | 101 | 2013 |
| 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 | 70 | 2020 |
| Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors C Garcia-Iriepa, M Marazzi, F Zapata, A Valentini, D Sampedro, LM Frutos The journal of physical chemistry letters 4 (9), 1389-1396, 2013 | 65 | 2013 |
| Reaction dynamics of the chimeric channelrhodopsin C1C2 Y Hontani, M Marazzi, K Stehfest, T Mathes, IHM van Stokkum, M Elstner, ... Scientific Reports 7 (1), 7217, 2017 | 55 | 2017 |
| Photophysics of chlorin e6: from one-and two-photon absorption to fluorescence and phosphorescence H Gattuso, A Monari, M Marazzi RSC advances 7 (18), 10992-10999, 2017 | 48 | 2017 |
| Active site structure and absorption spectrum of channelrhodopsin-2 wild-type and C128T mutant Y Guo, FE Beyle, BM Bold, HC Watanabe, A Koslowski, W Thiel, ... Chemical Science 7 (6), 3879-3891, 2016 | 47 | 2016 |
| Ab initio molecular dynamics of thiophene: The interplay of internal conversion and intersystem crossing T Schnappinger, P Kölle, M Marazzi, A Monari, L González, ... Physical Chemistry Chemical Physics 19 (37), 25662-25670, 2017 | 43 | 2017 |
| 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 (21), 9272-9281, 2020 | 34 | 2020 |
| Allyl amino-thioxanthone derivatives as highly efficient visible light H-donors and co-polymerizable photoinitiators L Breloy, R Losantos, D Sampedro, M Marazzi, JP Malval, Y Heo, ... Polymer Chemistry 11 (26), 4297-4312, 2020 | 34 | 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 | 33 | 2018 |
| Assessing one-and two-photon optical properties of boron containing arenes HT Turan, Y Eken, M Marazzi, M Pastore, V Aviyente, A Monari The Journal of Physical Chemistry C 120 (32), 17916-17926, 2016 | 33 | 2016 |
| From non-covalent binding to irreversible DNA lesions: nile blue and nile red as photosensitizing agents H Gattuso, V Besancenot, S Grandemange, M Marazzi, A Monari Scientific Reports 6 (1), 28480, 2016 | 31 | 2016 |
| Nile blue and Nile red optical properties predicted by TD-DFT and CASPT2 methods: static and dynamic solvent effects M Marazzi, H Gattuso, A Monari Theoretical Chemistry Accounts 135, 1-11, 2016 | 31 | 2016 |
| Role of RNA guanine quadruplexes in favoring the dimerization of SARS unique domain in coronaviruses C Hognon, T Miclot, C Garcı́a-Iriepa, A Francés-Monerris, ... The Journal of Physical Chemistry Letters 11 (14), 5661-5667, 2020 | 29 | 2020 |
| Ibuprofen and ketoprofen potentiate UVA-induced cell death by a photosensitization process E Bignon, M Marazzi, V Besancenot, H Gattuso, G Drouot, C Morell, ... Scientific Reports 7 (1), 8885, 2017 | 29 | 2017 |
| Two-photon-absorption DNA sensitization via solvated electron production: unraveling photochemical pathways by molecular modeling and simulation H Gattuso, E Dumont, M Marazzi, A Monari Physical Chemistry Chemical Physics 18 (27), 18598-18606, 2016 | 27 | 2016 |
| Hydrogen abstraction by photoexcited benzophenone: consequences for DNA photosensitization M Marazzi, M Wibowo, H Gattuso, E Dumont, D Roca-Sanjuán, A Monari Physical Chemistry Chemical Physics 18 (11), 7829-7836, 2016 | 27 | 2016 |
| Toward an optomechanical control of photoswitches by tuning their spectroscopical properties: Structural and dynamical insights into azobenzene F Zapata, MA Fernández-González, D Rivero, A Alvarez, M Marazzi, ... Journal of Chemical Theory and Computation 10 (1), 312-323, 2014 | 27 | 2014 |
| Dinuclear gold (I) complexes bearing alkyl-bridged bis (N-heterocyclic carbene) ligands as catalysts for carboxylative cyclization of propargylamine: Synthesis, structure, and … T ACA Bayrakdar, F Nahra, JV Davis, MM Gamage, B Captain, ... Organometallics 39 (15), 2907-2916, 2020 | 26 | 2020 |
