Publications

Silvia Bordoni, Stefano Cerini, Riccardo Tarroni, Magda Monari, Carla Boga,, Ruthenium-Thymine Acetate binding modes, in: alberto credi, Atti del XVI Congresso Nazionale di Chimica Inorganica, s/l, S/N, 2018, UNICO, pp. 213 - 213 (atti di: XVXI Congresso Nazionale di Chimica Inorganica, bologna, 10-13 settembre) [Contribution to conference proceedings]

Luciano Fusina, Elisabetta Canè, Gianfranco Di Lonardo, Filippo Tamassia, Perturbation allowed transitions in the infrared spectrum of 14ND3: determination of the K-dependent parameters in the ground state, «MOLECULAR PHYSICS», 2018, 116, pp. 3538 - 3546 [Scientific article]

Tommaso Salzillo, Andrea Giunchi, Matteo Masino, Natalia Bedoya-Martinez, Raffaele G Della Valle,Aldo Brillante, Alberto Girlando, Elisabetta Venuti, An Alternative Strategy to Polymorph Recognition at Work: The Emblematic Case of Coronene, «CRYSTAL GROWTH & DESIGN», 2018, 18, pp. 4869 - 4873 [Scientific article]

Tommaso Salzillo, Simone d'Agostino, Arianna Rivalta, Andrea Giunchi, Aldo Brillante, R.G. Della Valle, Natalia Bedoya-Martinez, Egbert Zojer, Fabrizia Grepioni, Elisabetta Venuti, Structural, Spectroscopic, and Computational Characterization of the Concomitant Polymorphs of the Natural Semiconductor Indigo, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2018, 122, pp. 18422 - 18431 [Scientific article]

Arianna Rivalta, Tommaso Salzillo , Elisabetta Venuti, Raffaele G. Della Valle, Barbara Sokolovič, Oliver Werzer , Aldo Brillante, Bulk and Surface-Stabilized Structures of Paracetamol Revisited by Raman Confocal Microscopy, «ACS OMEGA», 2018, 3, pp. 9564 - 9571 [Scientific article]

GARAVELLI, NENOV, RIVALTA, WEINGART, ALTOE', SEGARRA-MARTI, DOKUKINA IRINA, COBRAMM 2.0 — A software interface for tailoring molecular electronic structure calculations and running nanoscale (QM/MM) simulations, «JOURNAL OF MOLECULAR MODELING», 2018, 24, pp. 271 - 271 [Scientific article]

Segatta, Gdor Itay, Rehault Julien, Taioli Simone, Friedman Noga, Sheves Mordechai, Rivalta Ivan, Ruhman Sanford, Cerullo Giulio, Garavelli Marco, Ultrafast Carotenoid to Retinal Energy Transfer in Xanthorhodopsin Revealed by the Combination of Transient Absorption and Two-Dimensional Electronic Spectroscopy, «CHEMISTRY-A EUROPEAN JOURNAL», 2018, 24, pp. 12084 - 12092 [Scientific article] Open Access

Gholami Samira, Nenov Artur, Rivalta Ivan, Bocola Marco, Bordbar A. Khalegh, Schwaneberg Ulrich, Davari Mehdi D., Garavelli Marco, Theoretical Model of the Protochlorophyllide Oxidoreductase from a Hierarchy of Protocols, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2018, 122, pp. 7668 - 7681 [Scientific article]

El-Tahawy Mohsen M. T., Nenov Artur, Weingart Oliver, Olivucci Massimo, Garavelli Marco, Relationship between Excited State Lifetime and Isomerization Quantum Yield in Animal Rhodopsins: Beyond the One-Dimensional Landau-Zener Model, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2018, 9, pp. 3315 - 3322 [Scientific article] Open Access

Segarra, Nenov, Garavelli, Rivalta, Mukamel Shaul, Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy, «TOPICS IN CURRENT CHEMISTRY», 2018, 376, pp. 24 - 24 [Scientific article]

Segarra-Marti Javier, Zvereva Elena, Marazzi Marco, Brazard Johanna, Dumont Elise, Assfeld Xavier, Haacke Stefan, Garavelli Marco, Monari Antonio, Leonard Jeremie, Rivalta Ivan, Resolving the Singlet Excited State Manifold of Benzophenone by First-Principles Simulations and Ultrafast Spectroscopy, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2018, 14, pp. 2570 - 2585 [Scientific article]

Nenov Artur, Borrego-Varillas Rocio, Oriana Aurelio, Ganzer Lucia, Segatta Francesco, Conti Irene, Segarra-Marti Javier, Omachi Junko, Dapor Maurizio, Taioli Simone, Manzoni Cristian, Mukamel Shaul, Cerullo Giulio, Garavelli Marco, UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans -Azobenzene, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2018, 9, pp. 1534 - 1541 [Scientific article] Open Access

Segarra-Marti Javier, Jaiswal Vishal K., Pepino Ana Julieta, Giussani Angelo, Nenov Artur, Mukamel Shaul, Garavelli Marco, Rivalta Ivan, Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates, «FARADAY DISCUSSIONS», 2018, 207, pp. 233 - 250 [Scientific article]

Angelo Giussani; Irene Conti; Artur Nenov; Marco Garavelli, Photoinduced formation mechanism of the thymine–thymine (6–4) adduct in DNA; a QM(CASPT2//CASSCF):MM(AMBER) study, «FARADAY DISCUSSIONS», 2018, 207, pp. 375 - 387 [Scientific article]

Ana Julieta Pepino; Javier Segarra-Martí; Artur Nenov; Ivan Rivalta; Roberto Improta; Marco Garavelli, UV-induced long-lived decays in solvated pyrimidine nucleosides resolved at the MS-CASPT2/MM level, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2018, 20, pp. 6877 - 6890 [Scientific article]

Javier Segarra-Martí; Ana J. Pepino; Artur Nenov; Shaul Mukamel; Marco Garavelli; Ivan Rivalta, The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations, «THEORETICAL CHEMISTRY ACCOUNTS», 2018, 137, pp. 47 - 47 [Scientific article]

Zvereva Elena, Segarra-Marti Javier, Marazzi Marco, Brazard Johanna, Nenov Artur, Weingart Oliver, Leonard Jeremie, Garavelli Marco, Rivalta Ivan, Dumont Elise, Assfeld Xavier, Haacke Stefan, Monari Antonio, The effect of solvent relaxation in the ultrafast time-resolved spectroscopy of solvated benzophenone, «PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES», 2018, 17, pp. 323 - 331 [Scientific article]

Segarra-Marti, Garavelli, Aquilante, Converging many-body correlation energies by means of sequence extrapolation, «THE JOURNAL OF CHEMICAL PHYSICS», 2018, 148, pp. 1 - 9 [Scientific article] Open Access

Michael Y. Wong, Simonas Krotkus, Graeme Copley, Wenbo Li, Caroline Murawski, David Hall, Gordon J. Hedley, Marie Jaricot, David B. Cordes, Alexandra M. Z. Slawin, Yoann Olivier, David Beljonne, Luca Muccioli, Monica Moral, Juan-Carlos Sancho-Garcia, Malte C. Gather, Ifor D. W. Samuel, and Eli Zysman-Colman, Deep-Blue Oxadiazole-Containing Thermally Activated Delayed Fluorescence Emitters for Organic Light-Emitting Diodes, «ACS APPLIED MATERIALS & INTERFACES», 2018, 10, pp. 33360 - 33372 [Scientific article] Open Access

V. F. Curto, M. P. Ferro, F. Mariani, E. Scavetta, R. M. Owens, A planar impedance sensor for 3D spheroids, «LAB ON A CHIP», 2018, 18, pp. 933 - 943 [Scientific article] Open Access