Pubblicazioni scientifiche

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 [Articolo in rivista] Open Access

Cerullo G.; Garavelli M., A novel spectroscopic window on conical intersections in biomolecules, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2020, 117, pp. 26553 - 26555 [Recensione in rivista] Open Access

Conti I.; Cerullo G.; Nenov A.; Garavelli M., Ultrafast spectroscopy of photoactive molecular systems from first principles: Where we stand today and where we are going, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2020, 142, pp. 16117 - 16139 [Articolo in rivista] Open Access

Maluta F.; Kresta S.M.; Komrakova A., Mechanistic Model of Amine Hydrochloride Salts Precipitation in a Confined Impinging Jet Reactor, «INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH», 2020, 59, pp. 20877 - 20891 [Articolo in rivista] Open Access

Paglianti A.; Montante G., Simultaneous measurements of liquid velocity and tracer concentration in a continuous flow stirred tank, «CHEMICAL ENGINEERING SCIENCE», 2020, 216, pp. 1 - 12 [Articolo in rivista] Open Access

Paglianti A.; Marotta G.; Montante G., Applicability of electrical resistance tomography to the analysis of fluid distribution in haemodialysis modules, «CANADIAN JOURNAL OF CHEMICAL ENGINEERING», 2020, 98, pp. 1962 - 1972 [Articolo in rivista] Open Access

El-Tahawy M.M.T.; Conti I.; Bonfanti M.; Nenov A.; Garavelli M., Tailoring Spectral and Photochemical Properties of Bioinspired Retinal Mimics by in Silico Engineering, «ANGEWANDTE CHEMIE. INTERNATIONAL EDITION», 2020, 59, pp. 20619 - 20627 [Articolo in rivista] Open Access

Jaiswal V.K.; Segarra-Marti J.; Marazzi M.; Zvereva E.; Assfeld X.; Monari A.; Garavelli M.; Rivalta I., First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2020, 22, pp. 15496 - 15508 [Articolo in rivista] Open Access

Conti I.; Buma W.J.; Garavelli M.; Amirjalayer S., Photoinduced Forward and Backward Pedalo-Type Motion of a Molecular Switch, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2020, 11, pp. 4741 - 4746 [Articolo in rivista] Open Access

Marcheselli J.; Chateau D.; Lerouge F.; Baldeck P.; Andraud C.; Parola S.; Baroni S.; Corni S.; Garavelli M.; Rivalta I., Simulating Plasmon Resonances of Gold Nanoparticles with Bipyramidal Shapes by Boundary Element Methods, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2020, 16, pp. 3807 - 3815 [Articolo in rivista] Open Access

Aquilante, F.; Autschbach, J.; Baiardi, A.; Battaglia, S.; Borin, V. A.; Chibotaru, L. F.; Conti, I.; De Vico, L.; Delcey, M.; Galvan, I. F.; Ferre, N.; Freitag, L.; Garavelli, M.; Gong, X.; Knecht, S.; Larsson, E. D.; Lindh, R.; Lundberg, M.; Malmqvist, P. A.; Nenov, A.; Norell, J.; Odelius, M.; Olivucci, M.; Pedersen, T. B.; Pedraza-Gonzalez, L.; Phung, Q. M.; Pierloot, K.; Reiher, M.; Schapiro, I.; Segarra-Marti, J.; Segatta, F.; Seijo, L.; Sen, S.; Sergentu, D. -C.; Stein, C. J.; Ungur, L.; Vacher, M.; Valentini, A.; Veryazov, V., Modern quantum chemistry with [open]molcas, «THE JOURNAL OF CHEMICAL PHYSICS», 2020, 152, pp. 1 - 25 [Articolo in rivista] Open Access

Stoycheva J.; Tadjer A.; Garavelli M.; Spassova M.; Nenov A.; Romanova J., Boron-doped polycyclic aromatic hydrocarbons: A molecular set revealing the interplay between topology and singlet fission propensity, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2020, 11, pp. 1390 - 1396 [Articolo in rivista] Open Access

Maiuri M.; Garavelli M.; Cerullo G., Ultrafast Spectroscopy: State of the Art and Open Challenges, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2020, 142, pp. 3 - 15 [Articolo in rivista] Open Access

Pandolfi L.; Rivalta A.; Salzillo T.; Giunchi A.; D'Agostino S.; Della Valle R.G.; Brillante A.; Venuti E., In Search of Surface-Induced Crystal Structures: The Case of Tyrian Purple, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2020, 124, pp. 17702 - 17710 [Articolo in rivista] Open Access

Masino M.; Salzillo T.; Brillante A.; Della Valle R.G.; Venuti E.; Girlando A., Experimental Estimate of the Holstein Electron–Phonon Coupling Constants in Perylene, «ADVANCED ELECTRONIC MATERIALS», 2020, 6, pp. 1 - 7 [Articolo in rivista]

Salzillo T.; Della Valle R.G. ; Venuti E.; Brillante A.; Kociok-Kohn G.; Di Nuzzo D.; Masino M.; Girlando A., (Perylene)3-(TCNQF1)2: Yet another member in the series of perylene–TCNQFx polymorphic charge transfer crystals, «CRYSTALS», 2020, 10, pp. 1 - 9 [Articolo in rivista] Open Access

Volpe C.; Meninno S.; Roselli A.; Mancinelli M.; Mazzanti A.; Lattanzi A., Nitrone/Imine Selectivity Switch in Base-Catalysed Reaction of Aryl Acetic Acid Esters with Nitrosoarenes: Joint Experimental and Computational Study, «ADVANCED SYNTHESIS & CATALYSIS», 2020, 362, pp. 5457 - 5466 [Articolo in rivista] Open Access

Mancinelli M.; Bencivenni G.; Pecorari D.; Mazzanti A., Stereochemistry and Recent Applications of Axially Chiral Organic Molecules, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2020, 2020, pp. 4070 - 4086 [Articolo in rivista] Open Access

Fiorini V.; Marchini E.; Averardi M.; Giorgini L.; Muzzioli S.; Dellai A.; Argazzi R.; Sanson A.; Sangiorgi N.; Caramori S.; Stagni S., New examples of Ru(ii)-tetrazolato complexes as thiocyanate-free sensitizers for dye-sensitized solar cells, «DALTON TRANSACTIONS», 2020, 49, pp. 14543 - 14555 [Articolo in rivista] Open Access

Dolci L.S.; Albertini B.; Di Filippo M.F.; Bonvicini F.; Passerini N.; Panzavolta S., Development and in vitro evaluation of mucoadhesive gelatin films for the vaginal delivery of econazole, «INTERNATIONAL JOURNAL OF PHARMACEUTICS», 2020, 591, pp. 1 - 12 [Articolo in rivista] Open Access