Modeling the Electron Transfer Chain in an Artificial Photosynthetic Machine

por Raucci, Umberto, Savarese, Marika, Adamo, Carlo, Ciofini, Ilaria, Rega, Nadia
Publicado 2020

Excited state tracking during the relaxation of coordination compounds

por Sanz García, Juan, Boggio‐Pasqua, Martial, Ciofini, Ilaria, Campetella, Marco
Publicado 2019

Absorption Spectra of Flexible Fluorescent Probes by a Combined Computational Approach: Molecular Dynamics Simulations and Time-Dependent Density Functional Theory

por Di Grande, Silvia, Ciofini, Ilaria, Adamo, Carlo, Pagliai, Marco, Cardini, Gianni
Publicado 2022

Copper-Catalyzed Homocoupling of Boronic Acids: A Focus on B-to-Cu and Cu-to-Cu Transmetalations

por Salamé, Aude, Rio, Jordan, Ciofini, Ilaria, Perrin, Lionel, Grimaud, Laurence, Payard, Pierre-Adrien
Publicado 2022

Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy

por Karges, Johannes, Kuang, Shi, Maschietto, Federica, Blacque, Olivier, Ciofini, Ilaria, Chao, Hui, Gasser, Gilles
Publicado 2020

Aggregation Effects on Pigment Coatings: Pigment Red 179 as a Case Study

por Muniz-Miranda, Francesco, Minei, Pierpaolo, Contiero, Luca, Labat, Frédéric, Ciofini, Ilaria, Adamo, Carlo, Bellina, Fabio, Pucci, Andrea
Publicado 2019

Effect of Polymer Composition on the Optical Properties of a New Aggregation-Induced Emission Fluorophore: A Combined Experimental and Computational Approach

por Picchi, Alberto, Wang, Qinfan, Ventura, Francesco, Micheletti, Cosimo, Heijkoop, Jesse, Picchioni, Francesco, Ciofini, Ilaria, Adamo, Carlo, Pucci, Andrea
Publicado 2023

Copper-catalyzed transformation of alkyl nitriles to N-arylacetamide using diaryliodonium salts

por Sallio, Romain, Payard, Pierre-Adrien, Pakulski, Paweł, Diachenko, Iryna, Fabre, Indira, Berteina-Raboin, Sabine, Colas, Cyril, Ciofini, Ilaria, Grimaud, Laurence, Gillaizeau, Isabelle
Publicado 2021

DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science

por Teale, Andrew M., Helgaker, Trygve, Savin, Andreas, Adamo, Carlo, Aradi, Bálint, Arbuznikov, Alexei V., Ayers, Paul W., Baerends, Evert Jan, Barone, Vincenzo, Calaminici, Patrizia, Cancès, Eric, Carter, Emily A., Chattaraj, Pratim Kumar, Chermette, Henry, Ciofini, Ilaria, Crawford, T. Daniel, De Proft, Frank, Dobson, John F., Draxl, Claudia, Frauenheim, Thomas, Fromager, Emmanuel, Fuentealba, Patricio, Gagliardi, Laura, Galli, Giulia, Gao, Jiali, Geerlings, Paul, Gidopoulos, Nikitas, Gill, Peter M. W., Gori-Giorgi, Paola, Görling, Andreas, Gould, Tim, Grimme, Stefan, Gritsenko, Oleg, Jensen, Hans Jørgen Aagaard, Johnson, Erin R., Jones, Robert O., Kaupp, Martin, Köster, Andreas M., Kronik, Leeor, Krylov, Anna I., Kvaal, Simen, Laestadius, Andre, Levy, Mel, Lewin, Mathieu, Liu, Shubin, Loos, Pierre-François, Maitra, Neepa T., Neese, Frank, Perdew, John P., Pernal, Katarzyna, Pernot, Pascal, Piecuch, Piotr, Rebolini, Elisa, Reining, Lucia, Romaniello, Pina, Ruzsinszky, Adrienn, Salahub, Dennis R., Scheffler, Matthias, Schwerdtfeger, Peter, Staroverov, Viktor N., Sun, Jianwei, Tellgren, Erik, Tozer, David J., Trickey, Samuel B., Ullrich, Carsten A., Vela, Alberto, Vignale, Giovanni, Wesolowski, Tomasz A., Xu, Xin, Yang, Weitao
Publicado 2022