Foto del docente

Marco Garavelli

Full Professor

Department of Industrial Chemistry "Toso Montanari"

Academic discipline: CHIM/02 Physical Chemistry

Publications

I. Conti; F. Marchioni; A. Credi; G. Orlandi; G. Rosini; M. Garavelli, Cyclohexenylphenyldiazene: A Simple Surrogate of the Azobenzene Photochromic Unit, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2007, 129, pp. 3198 - 3210 [Scientific article]

M. Garavelli M. A. Robb, Fernando Bernardi Memorial Issue - Preface, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 118, pp. 1 - 7 [Scientific article]

Ravaglia, M.; Garavelli, Marco; Polson, M.; Scandola, F., Iridium Complexes with Terdentate Ligands: Cyclometalated vs. Polypyridine Analogues; Hybrid vs. “Pure” DFT, 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. 659 - 662 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 September 2007) [Contribution to conference proceedings]

P. Altoè; F. Bernardi; I. Conti; M. Garavelli; F. Negri; G. Orlandi, Light driven molecular switches: exploring and tuning their photophysical and photochemical properties, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 117, pp. 1041 - 1059 [Scientific article]

A. Credi; M. Garavelli; C. Laneve; S. Pradalier; S. Silvi; G. Zavattaro, Modelization and Simulation of Nano Devices in k-Calculus, in: Computational Methods in Systems Biology. Proceedings, BERLIN, Springer, 2007, 4695, pp. 168 - 183 (atti di: International Conference on Computational Methods in Systems Biology, CMSB 2007, Edinburgh, Scotland, September 20-21, 2007) [Contribution to conference proceedings]

Garavelli, Marco, Modelling Complex Molecular and Biomaterial Systems: Simulation of Reactive Processes, Methodological Advances and Interplay with the Experiments, 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. 581 - 582 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 September 2007) [Contribution to conference proceedings]

Tomasello, Gaia; Altoè, P.; Stenta, Marco; Olaso González, G.; Garavelli, Marco; Orlandi, Giorgio, Retinal Photoisomerization in Rhodopsin: Electrostatic and Steric Catalysis, 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. 727 - 730 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]

Altoè, P.; Stenta, Marco; Garavelli, Marco, Rhodopsin and GFP Chromophores: QM/MM Absorption Spectra in Solvent and Protein, 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. 689 - 692 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]

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 [Scientific article]

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) [Contribution to conference proceedings]

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) [Contribution to conference proceedings]

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) [Contribution to conference proceedings]

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) [Contribution to conference proceedings]

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 [Scientific article]

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) [Contribution to conference proceedings]