Marco Marazzi
Marco Marazzi
Associate Professor, University of Alcalá, Physical Chemistry Unit
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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
E/Z Photochemical switches: syntheses, properties and applications
C Garcia-Iriepa, M Marazzi, LM Frutos, D Sampedro
RSC advances 3 (18), 6241-6266, 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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Level of theory and solvent effects on DASA absorption properties prediction: comparing TD-DFT, CASPT2 and NEVPT2
C García-Iriepa, M Marazzi
Materials 10 (9), 1025, 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
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
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