Andrea Baschieri, Flavia Aleotti, Elia Matteucci, Letizia Sambri, Michele Mancinelli, Andrea Mazzanti, Enrico Leoni, Nicola Armaroli, and Filippo Monti, A Pyridyl-1,2-azaborine Ligand for Phosphorescent Neutral Iridium(III) Complexes, «INORGANIC CHEMISTRY», 2023, 62, pp. 2456 - 2469 [Scientific article]
Aleotti F.; Petropoulos V.; Van Overeem H.; Pettini M.; Mancinelli M.; Pecorari D.; Maiuri M.; Medri R.; Mazzanti A.; Preda F.; Perri A.; Polli D.; Conti I.; Cerullo G.; Garavelli M., Engineering Azobenzene Derivatives to Control the Photoisomerization Process, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2023, 127, pp. 10435 - 10449 [Scientific article]Open Access
Segatta F.; Ruiz D.A.; Aleotti F.; Yaghoubi M.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A., Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 2075 - 2091 [Scientific article]
Li Manni G.; Fdez. Galvan I.; Alavi A.; Aleotti F.; Aquilante F.; Autschbach J.; Avagliano D.; Baiardi A.; Bao J.J.; Battaglia S.; Birnoschi L.; Blanco-Gonzalez A.; Bokarev S.I.; Broer R.; Cacciari R.; Calio P.B.; Carlson R.K.; Carvalho Couto R.; Cerdan L.; Chibotaru L.F.; Chilton N.F.; Church J.R.; Conti I.; Coriani S.; Cuellar-Zuquin J.; Daoud R.E.; Dattani N.; Decleva P.; de Graaf C.; Delcey M.G.; De Vico L.; Dobrautz W.; Dong S.S.; Feng R.; Ferre N.; Filatov M.; Gagliardi L.; Garavelli M.; Gonzalez L.; Guan Y.; Guo M.; Hennefarth M.R.; Hermes M.R.; Hoyer C.E.; Huix-Rotllant M.; Jaiswal V.K.; Kaiser A.; Kaliakin D.S.; Khamesian M.; King D.S.; Kochetov V.; Krosnicki M.; Kumaar A.A.; Larsson E.D.; Lehtola S.; Lepetit M.-B.; Lischka H.; Lopez Rios P.; Lundberg M.; Ma D.; Mai S.; Marquetand P.; Merritt I.C.D.; Montorsi F.; Morchen M.; Nenov A.; Nguyen V.H.A.; Nishimoto Y.; Oakley M.S.; Olivucci M.; Oppel M.; Padula D.; Pandharkar R.; Phung Q.M.; Plasser F.; Raggi G.; Rebolini E.; Reiher M.; Rivalta I.; Roca-Sanjuan D.; Romig T.; Safari A.A.; Sanchez-Mansilla A.; Sand A.M.; Schapiro I.; Scott T.R.; Segarra-Marti J.; Segatta F.; Sergentu D.-C.; Sharma P.; Shepard R.; Shu Y.; Staab J.K.; Straatsma T.P.; Sorensen L.K.; Tenorio B.N.C.; Truhlar D.G.; Ungur L.; Vacher M.; Veryazov V.; Voss T.A.; Weser O.; Wu D.; Yang X.; Yarkony D.; Zhou C.; Zobel J.P.; Lindh R., The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 6933 - 6991 [Scientific article]Open Access
Segatta F.; Aranda D.; Aleotti F.; Montorsi F.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A., Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 20, pp. 307 - 322 [Scientific article]Open Access
Rouxel J.R.; Keefer D.; Aleotti F.; Nenov A.; Garavelli M.; Mukamel S., Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2022, 18, pp. 605 - 613 [Scientific article]Open Access
Nam Y.; Keefer D.; Nenov A.; Conti I.; Aleotti F.; Segatta F.; Lee J.Y.; Garavelli M.; Mukamel S., Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2021, 12, pp. 12300 - 12309 [Scientific article]Open Access
Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S., Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2021, 143, pp. 13806 - 13815 [Scientific article]Open Access
Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Garavelli, Marco; Mukamel, Shaul, Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2022037118 , pp. 1 - 10 [Scientific article]Open Access
Aleotti F.; Aranda D.; Yaghoubi Jouybari M.; Garavelli M.; Nenov A.; Santoro F., Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene, «THE JOURNAL OF CHEMICAL PHYSICS», 2021, 154, Article number: 104106 , pp. 1 - 16 [Scientific article]Open Access
Gu B.; Keefer D.; Aleotti F.; Nenov A.; Garavelli M.; Mukamel S., Photoisomerization transition state manipulation by entangled two-photon absorption, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2116868118 , pp. e2116868118 - e2116868118 [Scientific article]
Cavaletto S.M.; Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S., Unveiling the spatial distribution of molecular coherences at conical intersections by covariance X-ray diffraction signals, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2105046118 , pp. 1 - 8 [Scientific article]Open Access
Keefer D.; Aleotti F.; Rouxel J.; Segatta F.; Gu B.; Nenov A.; Garavelli M.; Mukamel S., Monitoring ultrafast photoisomerization of azobenzene by time-resolved x-ray diffraction, in: LW4F - Ultrafast Science with Free Electron Lasers, 2020, pp. 1 - 3 (atti di: Frontiers in Optics / Laser Science, Washington, DC, United States, 14–17 September 2020) [Contribution to conference proceedings]
Aleotti F.; Nenov A.; Salvigni L.; Bonfanti M.; El-Tahawy M.M.; Giunchi A.; Gentile M.; Spallacci C.; Ventimiglia A.; Cirillo G.; Montali L.; Scurti S.; Garavelli M.; Conti I., Spectral Tuning and Photoisomerization Efficiency in Push-Pull Azobenzenes: Designing Principles, «JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY», 2020, 124, pp. 9513 - 9523 [Scientific article]Open Access
Aleotti F.; Soprani L.; Nenov A.; Berardi R.; Arcioni A.; Zannoni C.; Garavelli M., Multidimensional Potential Energy Surfaces Resolved at the RASPT2 Level for Accurate Photoinduced Isomerization Dynamics of Azobenzene, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2019, 15, pp. 6813 - 6823 [Scientific article]Open Access
