I. Conti; M. Garavelli; G. Orlandi, The different photoisomerization efficiency of Azobenzene in the lowest nπ* and ππ* singlets: the role of a phantom state, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2008, 130, pp. 5216 - 5230 [articolo]
M. T. Indelli; S. Carli; M. Ghirotti; C. Chiorboli; M. Ravaglia; M. Garavelli; F. Scandola, Triplet Pathways in Diarylethene Photochromism. Photophysical and Computational Study of Dyads Containing Ruthenium(II) Polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide Units, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2008, 130, pp. 7286 - 7299 [articolo]
P. Altoè; M. Stenta; A. Bottoni; M. Garavelli, A tunable QM/MM approach to chemical reactivity, structure and physico-chemical properties prediction, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 118, pp. 219 - 240 [articolo]
Tomasello, Gaia; Altoè, P.; Garavelli, Marco; Orlandi, Giorgio, Ab initio Investigation to Model Stilbene Photo-Physical Properties by Combining CC2 Topological Investigation and CASPT2 Energy Corrections, 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. 724 - 726 (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]
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 [articolo]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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) [Contributo in Atti di convegno]
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 [articolo]
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) [Contributo in Atti di convegno]
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 [articolo]
M. Garavelli
M. A. Robb, Fernando Bernardi Memorial Issue - Preface, «THEORETICAL CHEMISTRY ACCOUNTS», 2007, 118, pp. 1 - 7 [articolo]
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) [Contributo in Atti di convegno]
