Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.; Garavelli, M., Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy, «THE JOURNAL OF CHEMICAL PHYSICS», 2015, 142, pp. 212443 - 212443 [Scientific article]
Nenov, Artur; Segarra-Martí, Javier; Giussani, Angelo; Conti, Irene; Rivalta, Ivan; Dumont, Elise; Jaiswal, Vishal K.; Altavilla, Salvatore Flavio; Mukamel, Shaul; Garavelli, Marco, Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations, «FARADAY DISCUSSIONS», 2015, 177, pp. 345 - 362 [Scientific article]
Sánchez-De-Armas, Rocío*; Brena, Barbara; Rivalta, Ivan; Araujo, C. Moyses, Soft X-ray Spectroscopic Properties of Ruthenium Complex Catalyst under CO2 Electrochemical Reduction Conditions: A First-Principles Study, «JOURNAL OF PHYSICAL CHEMISTRY. C», 2015, 119, pp. 22899 - 22907 [Scientific article]
Nenov, Artur; Giussani, Angelo; Fingerhut, Benjamin P.; Rivalta, Ivan; Dumont, Elise; Mukamel, Shaul; Garavelli, Marco, Spectral lineshapes in nonlinear electronic spectroscopy, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2015, 17, pp. 30925 - 30936 [Scientific article]
Polli, D.; Rivalta, I.; Nenov, A.; Weingart, O.; Garavelli, M.; Cerullo, G., Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy, «PHOTOCHEMICAL & PHOTOBIOLOGICAL SCIENCES», 2015, 14, pp. 213 - 228 [Scientific article]
Rivalta, Ivan; Yang, Ke R.; Brudvig, Gary W.; Batista, Victor S., Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer, «ACS CATALYSIS», 2015, 5, pp. 2384 - 2390 [Scientific article]
Nenov, Artur; Mukamel, Shaul; Garavelli, Marco; Rivalta, Ivan, Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2015, 11, pp. 3755 - 3771 [Scientific article]
Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli, Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach, «INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY», 2014, 114, pp. 85 - 93 [Scientific article]
Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli, Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles, «COMPUTATIONAL AND THEORETICAL CHEMISTRY», 2014, 1040-1041, pp. 295 - 303 [Scientific article]
Artur Nenov;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli, Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2014, 5, pp. 767 - 771 [Scientific article]
Oliverio, Manuela; Costanzo, Paola; Nardi, Monica; Rivalta, Ivan; Procopio, Antonio*, Facile ecofriendly synthesis of monastrol and its structural isomers via biginelli reaction, «ACS SUSTAINABLE CHEMISTRY & ENGINEERING», 2014, 2, pp. 1228 - 1233 [Scientific article]
Ivan Rivalta;Artur Nenov;Marco Garavelli, Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsins, «PHYSICAL CHEMISTRY CHEMICAL PHYSICS», 2014, 16, pp. 16865 - 16879 [Scientific article]
Ivan Rivalta;Artur Nenov;Oliver Weingart;Giulio Cerullo;Marco Garavelli;Shaul Mukamel, Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin, «JOURNAL OF PHYSICAL CHEMISTRY. B, CONDENSED MATTER, MATERIALS, SURFACES, INTERFACES & BIOPHYSICAL», 2014, 118, pp. 8396 - 8405 [Scientific article]
Rivalta, Ivan*; Brudvig, Gary W.; Batista, Victor S., Structural Studies of Oxomanganese Complexes for Water Oxidation Catalysis, in: Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes, Chichester, John Wiley & Sons, Ltd, 2014, pp. 1 - 14 [Chapter or essay]
Artur Nenov;Silvio a Beccara;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli, Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study, «CHEMPHYSCHEM», 2014, 15, pp. 3282 - 3290 [Scientific article]
