Foto del docente

Marco Garavelli

Professore ordinario

Dipartimento di Chimica Industriale "Toso Montanari"

Settore scientifico disciplinare: CHIM/02 CHIMICA FISICA

Pubblicazioni

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 [articolo]

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, pp. 271 - 271 [articolo]

Segarra-Marti, Garavelli, Aquilante, Converging many-body correlation energies by means of sequence extrapolation, «THE JOURNAL OF CHEMICAL PHYSICS», 2018, 148, pp. 034107 - 034107 [articolo]

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 [articolo]

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 [articolo]

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 [articolo]

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, in: Photoinduced Processes in Nucleic Acids and Proteins, Cambridge, Royal Society of Chemistry, 2018, pp. 375 - 387 (FARADAY DISCUSSIONS) [capitolo di libro]

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 [articolo]

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 [articolo]

Provazza, Justin; Segatta, Francesco; Garavelli, Marco; Coker, David F, Semiclassical Path Integral Calculation of Nonlinear Optical Spectroscopy, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2018, 14, pp. 856 - 866 [articolo]

Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver, Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio, The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone, «PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES», 2018, 17, pp. 323 - 331 [articolo]

Javier Segarra-Martí; Ana J. Pepino; Artur Nenov; Shaul Mukamel; Marco Garavelli; Ivan Rivalta, The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations, «THEORETICAL CHEMISTRY ACCOUNTS», 2018, 137, pp. 47 - 47 [articolo]

Gholami Samira, Nenov Artur, Rivalta Ivan, Bocola Marco, Bordbar A. Khalegh, Schwaneberg Ulrich, Davari Mehdi D., Garavelli Marco, Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of Protocols, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2018, 122, pp. 7668 - 7681 [articolo]

Segarra, Nenov, Garavelli, Rivalta, Mukamel Shaul, Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy, «TOPICS IN CURRENT CHEMISTRY», 2018, 376, pp. 24 - 24 [articolo]

Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukamel Shaul, Garavelli Marco, Rivalta Ivan, Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates, in: Photoinduced Processes in Nucleic Acids and Proteins, Cambridge, Royal Society of Chemistry, 2018, pp. 233 - 250 (FARADAY DISCUSSIONS) [capitolo di libro]