Foto del docente

Marco Garavelli

Full Professor

Department of Industrial Chemistry "Toso Montanari"

Academic discipline: CHIM/02 Physical Chemistry

Publications

Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco, Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations, «FARADAY DISCUSSIONS», 2015, 177, pp. 345 - 362 [Scientific article]

Boggio-Pasqua, M.; Garavelli, M., Rationalization and Design of Enhanced Photoinduced Cycloreversion in Photochromic Dimethyldihydropyrenes by Theoretical Calculations, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2015, 119, pp. 6024 - 6032 [Scientific article]

Dumont, E.; Wibowo, M.; Roca-Sanjuan, D.; Garavelli, M.; Assfeld, X.; Monari, A., Resolving the benzophenone DNA-photosensitization mechanism at QM/MM level, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2015, 6, pp. 576 - 580 [Scientific article]Open Access

Nenov, Artur; Giussani, Angelo; Fingerhut, Benjamin P.; Rivalta, Ivan; Dumont, Elise; Mukamel, Shaul; Garavelli, Marco, Spectral lineshapes in nonlinear electronic spectroscopy, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2015, 17, pp. 30925 - 30936 [Scientific article]

Taioli, Simone; Simonucci, Stefano; a Beccara, Silvio; Garavelli, Marco, Tetrapeptide unfolding dynamics followed by core-level spectroscopy: a first-principles approach, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2015, 17, pp. 11269 - 11276 [Scientific article]

Polli, D.; Rivalta, I.; Nenov, A.; Weingart, O.; Garavelli, M.; Cerullo, G., Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy, «PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES», 2015, 14, pp. 213 - 228 [Scientific article]

Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan, Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 3755 - 3771 [Scientific article]

Maiuri, M.; Rehault, J.; Carey, A.-M.; Hacking, K.; Garavelli, M.; Luer, L.; Polli, D.; Cogdell, R.J.; Cerullo, G., Ultra-broadband 2D electronic spectroscopy of carotenoid-bacteriochlorophyll interactions in the LH1 complex of a purple bacterium, «THE JOURNAL OF CHEMICAL PHYSICS», 2015, 142, pp. 212433 - 212433 [Scientific article]

Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli, Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach, «INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY», 2014, 114, pp. 85 - 93 [Scientific article]

Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli, Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles, «COMPUTATIONAL AND THEORETICAL CHEMISTRY», 2014, 1040-1041, pp. 295 - 303 [Scientific article]

Artur Nenov;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli, Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2014, 5, pp. 767 - 771 [Scientific article]

Angelo Giussani; Francesco Aquilante; Marco Garavelli, IL RUOLO DELLA CHIMICA TEORICA NELLA FOTOFISICA E NELLA FOTOCHIMICA, «LA CHIMICA E L'INDUSTRIA», 2014, 4, pp. 15 - 18 [Scientific article]

Rocio Borrego Varillas;Alessia Candeo;Daniele Viola;Marco Garavelli;Sandro De Silvestri;Giulio Cerullo;Cristian Manzoni, Microjoule-level, tunable sub-10  fs UV pulses by broadband sum-frequency generation, «OPTICS LETTERS», 2014, 39, pp. 3849 - 3852 [Scientific article]

Ivan Rivalta;Artur Nenov;Marco Garavelli, Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsins, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2014, 16, pp. 16865 - 16879 [Scientific article]

Ivan Rivalta;Artur Nenov;Oliver Weingart;Giulio Cerullo;Marco Garavelli;Shaul Mukamel, Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2014, 118, pp. 8396 - 8405 [Scientific article]