Foto del docente

Marco Garavelli

Full Professor

Department of Industrial Chemistry "Toso Montanari"

Academic discipline: CHIM/02 Physical Chemistry

Publications

Picchiotti A.; Nenov A.; Giussani A.; Prokhorenko V.I.; Miller R.J.D.; Mukamel S.; Garavelli M., Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2019, 10, pp. 3481 - 3487 [Scientific article]

Dokukina, Irina; Nenov, Artur; Garavelli, Marco; Marian, Christel M.; Weingart, Oliver, QM/MM Photodynamics of Retinal in the Channelrhodopsin Chimera C1C2 with OM3/MRCI, «CHEMPHOTOCHEM», 2019, 3, pp. 107 - 116 [Scientific article]

Segatta F.; Cupellini L.; Garavelli M.; Mennucci B., Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems, «CHEMICAL REVIEWS», 2019, 119, pp. 9361 - 9380 [Scientific article]Open Access

Teles-Ferreira D.C.; Borrego-Varillas R.; Conti I.; Nenov A.; Ganzer L.; Manzoni C.; Garavelli M.; Cerullo G.; De Paula A.M., Sub-20 fs UV spectroscopy to track primary photoinduced processes in Thiobases, in: 2019 SBFoton International Optics and Photonics Conference, SBFoton IOPC 2019, Institute of Electrical and Electronics Engineers Inc., 2019, pp. 1 - 3 (atti di: 2019 SBFoton International Optics and Photonics Conference, SBFoton IOPC 2019, bra, 2019) [Contribution to conference proceedings]

Stadler A.M.; Schneidewind J.; Zamponi M.; Knieps-Grunhagen E.; Gholami S.; Schwaneberg U.; Rivalta I.; Garavelli M.; Davari M.D.; Jaeger K.-E.; Krauss U., Ternary Complex Formation and Photoactivation of a Photoenzyme Results in Altered Protein Dynamics, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2019, 123, pp. 7372 - 7384 [Scientific article]

Borrego-Varillas R.; Nenov A.; Ganzer L.; Oriana A.; Manzoni C.; Tolomelli A.; Rivalta I.; Mukamel S.; Garavelli M.; Cerullo G., Two-dimensional UV spectroscopy: A new insight into the structure and dynamics of biomolecules, «CHEMICAL SCIENCE», 2019, 10, pp. 9907 - 9921 [Scientific article]Open Access

Nenov A.; Segatta F.; Bruner A.; Mukamel S.; Garavelli M., X-ray linear and non-linear spectroscopy of the ESCA molecule, «THE JOURNAL OF CHEMICAL PHYSICS», 2019, 151, Article number: 114110-15 , pp. 114110-1 - 114110-1 [Scientific article]

GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA, COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations, «JOURNAL OF MOLECULAR MODELING», 2018, 24, Article number: 271 , pp. 271 - 271 [Scientific article]

Segarra-Marti, Garavelli, Aquilante, Converging many-body correlation energies by means of sequence extrapolation, «THE JOURNAL OF CHEMICAL PHYSICS», 2018, 148, Article number: 034107 , pp. 1 - 9 [Scientific article]Open Access

irene conti ; marco garavelli, Evolution of the Excitonic State of DNA Stacked Thymines: Intrabase ππ∗→S0. Decay Paths Account for Ultrafast (Subpicosecond) and Longer (>100 ps) Deactivations, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2018, 9, pp. 2373 - 2379 [Scientific article]Open Access

Nenov, Artur; Conti, Irene; Borrego-Varillas, Rocio; Cerullo, Giulio; Garavelli, Marco*, Linear absorption spectra of solvated thiouracils resolved at the hybrid RASPT2/MM level, «CHEMICAL PHYSICS», 2018, 515, pp. 643 - 653 [Scientific article]Open Access

Borrego-Varillas, Rocío; Teles-Ferreira, Danielle C.; Nenov, Artur; Conti, Irene; Ganzer, Lucia; Manzoni, Cristian; Garavelli, Marco*; Maria De Paula, Ana; Cerullo, Giulio, Observation of the Sub-100 Femtosecond Population of a Dark State in a Thiobase Mediating Intersystem Crossing, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2018, 140, pp. 16087 - 16093 [Scientific article]Open Access

Angelo Giussani; Irene Conti; Artur Nenov; Marco Garavelli, Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study, «FARADAY DISCUSSIONS», 2018, 207, pp. 375 - 387 [Scientific article]

El-Tahawy Mohsen M. T., Nenov Artur, Weingart Oliver, Olivucci Massimo, Garavelli Marco, Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2018, 9, pp. 3315 - 3322 [Scientific article]Open Access

Segarra-Marti Javier, Zvereva Elena, Marazzi Marco, Brazard Johanna, Dumont Elise, Assfeld Xavier, Haacke Stefan, Garavelli Marco, Monari Antonio, Leonard Jeremie, Rivalta Ivan, Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2018, 14, pp. 2570 - 2585 [Scientific article]