Pubblicazioni scientifiche

Avagliano, D.; Bonfanti, M.; Garavelli, M.; Gonzalez, L., QM/MM Nonadiabatic Dynamics: The SHARC/COBRAMM Approach, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 4639 - 4647 [Articolo in rivista] Open Access

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, pp. 1 - 8 [Articolo in rivista] Open Access

Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M., iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2021, 42, pp. 644 - 659 [Articolo in rivista] 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, pp. 1 - 16 [Articolo in rivista] Open Access

Fedotov D.A.; Paul A.C.; Posocco P.; Santoro F.; Garavelli M.; Koch H.; Coriani S.; Improta R., Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 1638 - 1652 [Articolo in rivista] Open Access

Keshk R.M.; Garavelli M.; El-Tahawy M.M.T., Synthesis, physicochemical and vibrational spectral properties of 2–pyridone and 2–aminopyridine derivatives: An experimental and theoretical study, «JOURNAL OF MOLECULAR STRUCTURE», 2021, 1225, pp. 1 - 13 [Articolo in rivista] Open Access

Gu, B.; Nenov, A.; Segatta, F.; Garavelli, M.; Mukamel, S., Manipulating Core Excitations in Molecules by X-Ray Cavities, «PHYSICAL REVIEW LETTERS», 2021, 126, pp. 1 - 7 [Articolo in rivista] Open Access

Song H.; Nam Y.; Keefer D.; Garavelli M.; Mukamel S.; Tretiak S., Nonadiabatic Molecular Dynamics Study of the Relaxation Pathways of Photoexcited Cyclooctatetraene, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2021, 12, pp. 5716 - 5722 [Articolo in rivista] Open Access

Segatta F.; Rogers D.M.; Dyer N.T.; Guest E.E.; Li Z.; Do H.; Nenov A.; Garavelli M.; Hirst J.D., Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides, «MOLECULES», 2021, 26, pp. 1 - 13 [Articolo in rivista] Open Access

Maturi M.; Buratti V.V.; Casula G.; Locatelli E.; Sambri L.; Bonfiglio A.; Comes Franchini M., Surface-Stabilization of Ultrathin Gold Nanowires for Capacitive Sensors in Flexible Electronics, «ACS APPLIED NANO MATERIALS», 2021, 4, pp. 8668 - 8673 [Articolo in rivista] Open Access

Villa S.M.; Maturi M.; Santaniello T.; Migliorini L.; Locatelli E.; Comes Franchini M.; Milani P., Quantitative spectral electromechanical characterization of soft piezoelectric nanocomposites, «SENSORS AND ACTUATORS. A, PHYSICAL», 2021, 332, pp. 1 - 15 [Articolo in rivista] Open Access

Tortorella S.; Maturi M.; Vetri Buratti V.; Vozzolo G.; Locatelli E.; Sambri L.; Comes Franchini M., Zein as a versatile biopolymer: different shapes for different biomedical applications, «RSC ADVANCES», 2021, 11, pp. 39004 - 39026 [Articolo in rivista] Open Access

Tortorella S.; Inzalaco G.; Dapporto F.; Maturi M.; Sambri L.; Vetri Buratti V.; Chiariello M.; Comes Franchini M.; Locatelli E., Biocompatible pectin-based hybrid hydrogels for tissue engineering applications, «NEW JOURNAL OF CHEMISTRY», 2021, 45, pp. 22386 - 22395 [Articolo in rivista] Open Access

Agnello L.; Tortorella S.; d'Argenio A.; Carbone C.; Camorani S.; Locatelli E.; Auletta L.; Sorrentino D.; Fedele M.; Zannetti A.; Franchini M.C.; Cerchia L., Optimizing cisplatin delivery to triple-negative breast cancer through novel EGFR aptamer-conjugated polymeric nanovectors, «JOURNAL OF EXPERIMENTAL & CLINICAL CANCER RESEARCH», 2021, 40, pp. 1 - 17 [Articolo in rivista] Open Access

Chugunova E.; Akylbekov N.; Dobrynin A.; Burilov A.; Boga C.; Micheletti G.; Frenna V.; Mattioli E.J.; Calvaresi M.; Spinelli D., 4,6-dichloro-5-nitrobenzofuroxan: Different polymorphisms and dft investigation of its reactivity with nucleophiles, «INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES», 2021, 22, pp. 1 - 16 [Articolo in rivista]

Micheletti G.; Mayer R.J.; Cino S.; Boga C.; Mazzanti A.; Ofial A.R.; Mayr H., Quantification of the Lewis Basicities and Nucleophilicities of 1,3,5-Tris(dialkylamino)benzenes, «EUROPEAN JOURNAL OF ORGANIC CHEMISTRY», 2021, 2021, pp. 6347 - 6357 [Articolo in rivista]

Fioramonti, Lorenzo; Giordano, Claudia; Basile, Francesco Luca, Fostering Academic Interdisciplinarity: Italy's Pioneering Experiment on Sustainability Education in Schools and Universities, «FRONTIERS IN SUSTAINABILITY», 2021, 2, pp. 1 - 6 [Articolo in rivista] Open Access

Salzillo T.; D'Amico F.; Montes N.; Pfattner R.; Mas-Torrent M., Influence of polymer binder on the performance of diF-TES-ADT based organic field effect transistor, «CRYSTENGCOMM», 2021, 23, pp. 1043 - 1051 [Articolo in rivista] Open Access

Tamayo A.; Hofer S.; Salzillo T.; Ruzie C.; Schweicher G.; Resel R.; Mas-Torrent M., Mobility anisotropy in the herringbone structure of asymmetric Ph-BTBT-10 in solution sheared thin film transistors, «JOURNAL OF MATERIALS CHEMISTRY. C», 2021, 9, pp. 7186 - 7193 [Articolo in rivista] Open Access

Salzillo T.; Brillante A.; Girlando A., Terahertz Raman scattering as a probe for electron-phonon coupling, disorder and correlation length in molecular materials, «JOURNAL OF MATERIALS CHEMISTRY. C», 2021, 9, pp. 10677 - 10688 [Articolo in rivista] Open Access