Foto del docente

Marco Garavelli

Professore ordinario

Dipartimento di Chimica Industriale "Toso Montanari"

Settore scientifico disciplinare: CHIM/02 CHIMICA FISICA

Pubblicazioni

I. Conti; M. Garavelli, Substituent Controlled Photoisomerization in Retinal Chromophore Models: Fluorinated and Methoxy-Substituted Protonated Schiff Bases, «JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY. A, CHEMISTRY», 2007, 190, pp. 258 - 273 [articolo]

Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea, The Catalytic Activity of Diaminopimelate Epimerase: a QM/MM Study, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 717 - 719 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contributo in Atti di convegno]

Stenta, Marco; Calvaresi, Matteo; Altoè, P.; Spinelli, Domenico; Garavelli, Marco; Bottoni, Andrea, The Catalytic Activity of Proline Racemase: a QM/MM Study, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 720 - 723 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contributo in Atti di convegno]

De Fusco, G. C.; Altoè, P.; Garavelli, Marco, The CIS-TRANS Photoisomerization of the Phytochromobilin, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 693 - 695 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contributo in Atti di convegno]

Castaño, O.; Sancho, U.; Garavelli, Marco; Olivucci, M.; Frutos, L. M., The Role of Intersection Space Segments in Photochemical Reactions, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 594 - 597 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 September 2007) [Contributo in Atti di convegno]

L. M. Frutos; U. Sancho; M. Garavelli; M. Olivucci; O. Castano, The role of the intersection space in the photochemistry of tricyclo[3.3.0.0(2,6)]octa-3,7-diene, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2007, 111, pp. 2830 - 2838 [articolo]

Olaso González, G.; Tomasello, Gaia; Altoè, P.; Stenta, Marco; Serrano Andrés, L.; Merchán, M.; Garavelli, Marco, Toward an Understanding of the Spectral Tuning in Rhodopsin, in: COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING: Theory and Computation: Old Problems and New Challenges. Lectures Presented at the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007): VOLUME 1, New York, American Institute Of Physics, 2007, 963, pp. 710 - 712 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contributo in Atti di convegno]

M. Garavelli, Computational Organic Photochemistry: Strategy, Achievements and Perspectives, «THEORETICAL CHEMISTRY ACCOUNTS», 2006, 116, pp. 87 - 105 [articolo]

Garavelli M., Controllo della reattività fotochimica in cromofori retinalici, «LA CHIMICA E L'INDUSTRIA», 2006, 88, pp. 130 - 132 [articolo]

I. CONTI; F. BERNARDI; G. ORLANDI; M. GARAVELLI, Substituent controlled spectroscopy and excited state topography of retinal chromophore models: fluorinated and methoxy-substituted protonated Schiff bases, «MOLECULAR PHYSICS», 2006, 104, pp. 915 - 924 [articolo]

Garavelli, Marco; Bernardi, Fernando; Cembran, Alessandro, Computation of photochemical reaction mechanisms in organic chemistry, in: COMPUTATIONAL PHOTOCHEMISTRY, AMSTERDAM, Elsevier, 2005, pp. 191 - 224 (Theoretical and Computational Chemistry) [capitolo di libro]

Polson M.; Ravaglia M.; Fracasso S.; Garavelli M.; Scandola F., Iridium Cyclometalated Complexes with Axial Symmetry: Time-Dependent Density Functional Theory Investigation of trans-Bis-Cyclometalated Complexes Containing the Tridentate Ligand 2,6-Diphenylpyridine, «INORGANIC CHEMISTRY», 2005, 44, pp. 1282 - 1289 [articolo]

L. De Vico; M. Garavelli; F. Bernardi; M. Olivucci, Photoisomerization Mechanism of 11-cis-Locked Artificial Retinal Chromophores: Acceleration and Primary Photoproduct Assignment, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2005, 127, pp. 2433 - 2442 [articolo]

P. ALTOE; F. BERNARDI; M. GARAVELLI; ORLANDI G.; F. NEGRI, Solvent effect on the vibrational activity and photodynamics of the Green Fluorescent Protein Chromophore: a Quantum-Chemical Study., «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2005, 127, pp. 3952 - 3963 [articolo]

Cembran A.; Gonzalez-Luque R.; Altoe P.; Merchan M.; Bernardi F.; Olivucci M.; Garavelli M., Structure, Spectroscopy, and Spectral Tuning of the Gas-Phase Retinal Chromophore: The beta-Ionone "Handle" and Alkyl Group Effect, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2005, 109, pp. 6597 - 6605 [articolo]