A. Cembran; R. González-Luque; L. Serrano-Andrés; M. Merchán; M. Garavelli, About the Intrinsic Photochemical Properties of the 11-cis Retinal Chromophore: Computational Clues for a Trap State and a Lever Effect in Rhodopsin Catalysis, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 118(1), pp. 173 - 183 [Scientific article]
Conti, Irene; Garavelli, Marco; Orlandi, Giorgio, An ab initio Study of Decay Mechanism of Adenine: the Facile Path of the Amino NH Bond Cleavage, 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. 655 - 658 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 September 2007) [Contribution to conference proceedings]
Conti, Irene; Garavelli, Marco; Orlandi, Giorgio, Azobenzene cis-trans Photoisomerization Mechanism: Characterization of the Decay Ways from the Lowest pipi* Absorbing Singlet State, 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. 699 - 702 (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; Bottoni, Andrea; Garavelli, Marco, COBRAMM: A Tunable QM/MM Approach to Complex Molecular Architectures. Modelling the Excited and Ground State Properties of Sized Molecular Systems, 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. 491 - 505 (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; Bottoni, Andrea; Garavelli, Marco, COBRAMM (part 1): a Tunable QM/MM Approach to Chemical Reactivity, Structure and Physico-Chemical Properties Prediction, 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. 685 - 688 (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; Altoè, P.; Bottoni, Andrea; Garavelli, Marco, COBRAMM (part 2): an Overview on Some Computational Details; Geometry Optimization, Frequency Calculation, Analysis of the Results, 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. 714 - 716 (atti di: International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007), Corfu (Greece), 25–30 SEPTEMBER 2007) [Contribution to conference proceedings]
Matteo Calvaresi; Andrea Bottoni; Marco Garavelli, Computational Clues for a New Mechanism in the Glycosylase Activity of the Human DNA Repair Protein hOGG1. A Generalized Paradigm for Purine-Repairing Systems?, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2007, 111, pp. 6557 - 6570 [Scientific article]
Calvaresi, Matteo; Stenta, Marco; Altoè, P.; Bottoni, Andrea; Garavelli, Marco; Spinelli, Domenico, Computational QM/MM Study of the Reaction Mechanism of Human Glutathione S-Transferase A3-3, 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. 696 - 698 (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; 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]
