Marco Garavelli
Marco Garavelli
Dipartimento di Chimica Industriale "T. Montanari", Bologna
Verified email at - Homepage
Cited by
Cited by
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ...
Journal of computational chemistry 37 (5), 506-541, 2016
Conical intersection dynamics of the primary photoisomerization event in vision
D Polli, P Altoč, O Weingart, KM Spillane, C Manzoni, D Brida, ...
Nature 467 (7314), 440-443, 2010
On the Mechanism of the cis−trans Isomerization in the Lowest Electronic States of Azobenzene:  S0, S1, and T1
A Cembran, F Bernardi, M Garavelli, L Gagliardi, G Orlandi
Journal of the American Chemical Society 126 (10), 3234-3243, 2004
Computational evidence in favor of a two-state, two-mode model of the retinal chromophore photoisomerization
R González-Luque, M Garavelli, F Bernardi, M Merchán, MA Robb, ...
Proceedings of the National Academy of Sciences 97 (17), 9379-9384, 2000
The C5H6NH2+ Protonated Shiff Base:  An ab Initio Minimal Model for Retinal Photoisomerization
M Garavelli, P Celani, F Bernardi, MA Robb, M Olivucci
Journal of the American Chemical Society 119 (29), 6891-6901, 1997
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
Ultrafast spectroscopy: State of the art and open challenges
M Maiuri, M Garavelli, G Cerullo
Journal of the American Chemical Society 142 (1), 3-15, 2019
The different photoisomerization efficiency of azobenzene in the lowest nπ* and ππ* singlets: the role of a phantom state
I Conti, M Garavelli, G Orlandi
Journal of the American Chemical Society 130 (15), 5216-5230, 2008
Ab Initio Photoisomerization Dynamics of a Simple Retinal Chromophore Model
T Vreven, F Bernardi, M Garavelli, M Olivucci, MA Robb, HB Schlegel
Journal of the American Chemical Society 119 (51), 12687-12688, 1997
Can diarylethene photochromism be explained by a reaction path alone? A CASSCF study with model MMVB dynamics
M Boggio-Pasqua, M Ravaglia, MJ Bearpark, M Garavelli, MA Robb
The Journal of Physical Chemistry A 107 (50), 11139-11152, 2003
A computational strategy for organic photochemistry
MA Robb, M Garavelli, M Olivucci, F Bernardi
Reviews in computational chemistry, 87-146, 2000
Reaction path of a sub-200 fs photochemical electrocyclic reaction
M Garavelli, CS Page, P Celani, M Olivucci, WE Schmid, SA Trushin, ...
The Journal of Physical Chemistry A 105 (18), 4458-4469, 2001
Photoisomerization path for a realistic retinal chromophore model: the nonatetraeniminium cation
M Garavelli, T Vreven, P Celani, F Bernardi, MA Robb, M Olivucci
Journal of the American Chemical Society 120 (6), 1285-1288, 1998
A global investigation of excited state surfaces within time-dependent density-functional response theory
M Wanko, M Garavelli, F Bernardi, TA Niehaus, T Frauenheim, M Elstner
The Journal of chemical physics 120 (4), 1674-1692, 2004
Relaxation paths from a conical intersection: The mechanism of product formation in the cyclohexadiene/hexatriene photochemical interconversion
M Garavelli, P Celani, M Fato, MJ Bearpark, BR Smith, M Olivucci, ...
The Journal of Physical Chemistry A 101 (11), 2023-2032, 1997
Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium (II) polypyridine and 1, 2-bis (2-methylbenzothiophene-3-yl …
MT Indelli, S Carli, M Ghirotti, C Chiorboli, M Ravaglia, M Garavelli, ...
Journal of the American Chemical Society 130 (23), 7286-7299, 2008
A theoretical study of the lowest electronic states of azobenzene: the role of torsion coordinate in the cis–trans photoisomerization
L Gagliardi, G Orlandi, F Bernardi, A Cembran, M Garavelli
Theoretical Chemistry Accounts 111, 363-372, 2004
Potential-energy surfaces for ultrafast photochemistry static and dynamic aspects
MA Robb
Faraday Discussions 110, 51-70, 1998
Solvent effects on the vibrational activity and photodynamics of the green fluorescent protein chromophore: A quantum-chemical study
P Altoe', F Bernardi, M Garavelli, G Orlandi, F Negri
Journal of the American Chemical Society 127 (11), 3952-3963, 2005
Initial excited-state relaxation of the isolated 11-cis protonated Schiff base of retinal: evidence for in-plane motion from ab initio quantum chemical simulation of the …
M Garavelli, F Negri, M Olivucci
Journal of the American Chemical Society 121 (5), 1023-1029, 1999
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