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The Journal of Physical Chemistry. B|June 28, 2006
Theoretical insights on O2 and CO adsorption on neutral and positively charged gold clustersAntonio Prestianni, Antonino Martorana, Frédéric Labat, et al.
The Journal of Physical Chemistry. A|November 17, 2007
Theoretical analysis of the electronic properties of N3 derivativesMaamar Rekhis, Frédéric Labat, Ourida Ouamerali, et al.
The Journal of Physical Chemistry. A|September 6, 2011
Theoretical study of absorption and emission properties of green and yellow emitting iridium(III) complexesAmel Kadari, Aurélien Moncomble, Ilaria Ciofini, et al.
Inorganic Chemistry|October 24, 2001
On the Calculation and Modeling of Magnetic Exchange Interactions in Weakly Bonded Systems: The Case of the Ferromagnetic Copper(II) &mgr;(2)-Azido Bridged ComplexesCarlo Adamo, Vincenzo Barone, Alessandro Bencini, et al.
The Journal of Physical Chemistry. B|September 11, 2014
Describing excited state intramolecular proton transfer in dual emissive systems: a density functional theory based analysisLiam Wilbraham, Marika Savarese, Nadia Rega, et al.
The Journal of Physical Chemistry Letters|November 3, 2020
Modeling the Electron Transfer Chain in an Artificial Photosynthetic MachineUmberto Raucci, Marika Savarese, Carlo Adamo, et al.
Organic Letters|June 30, 2021
Direct Synthesis of CF<sub>2</sub>H-Substituted 2-Amidofurans via Copper-Catalyzed Addition of Difluorinated Diazoacetone to YnamidesYongxiang Zheng, Anna Perfetto, Davide Luise, et al.
Journal of Chemical Theory and Computation|February 7, 2022
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio DynamicsÉric Brémond, Marika Savarese, Nadia Rega, et al.
Journal of Computational Chemistry|February 26, 2019
Excited state tracking during the relaxation of coordination compoundsJuan Sanz García, Martial Boggio-Pasqua, Ilaria Ciofini, et al.
Physical Chemistry Chemical Physics : PCCP|March 12, 2014
Copper-amyloid-β complex may catalyze peroxynitrite production in brain: evidence from molecular modelingRoberto Giacovazzi, Ilaria Ciofini, Li Rao, et al.
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