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I

Ilaria Ciofini

Universite PSL

62H-index
377Paper Count
1.5WCitation Count
Published Papers 150
Publication Date
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Fe(III) complexes with prolonged luminescence lifetimes via excited-state equilibration promoted by reversible intercomponent electron transfer
errNature Communications
IF15.7
err2026-04-11
err0
errOAAI
errSalvatore Genovese; Ambra M. Cancelliere; Antonino Arrigo; Alessandro Auditore; Antonino Licciardello; Manuel Pedrón; Ilaria Ciofini; Fausto Puntoriero; Sebastiano Campagna
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When Light Challenges Heat: Mechanistic Insights Into a Reaction Competing With Cadogan Cyclisation in Nitro-Perylenediimides
errChemistry - A European Journal
IF3.7
err2026-04-09
err0
errOAAI
errManuel Pedrón Laserna; Ilaria Ciofini; Piétrick Hudhomme
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Gaussian Charge-Based Electrostatic Embedding Scheme for Solid-State Excited-State Modeling
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-01
err0
PREAI
errHuguet, Alexandre; Ciofini, Ilaria; Labat, Frederic
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Emission Using Adaptable Range Separated Hybrids: Thermally Activated Delayed Fluorescence Emitters as Test Case
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-12-05
err0
errOAAI
errYan, Tianhong; Adamo, Carlo; Ciofini, Ilaria
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Toward a mechanistic understating of bioluminescence: a theoretical study of furimazine oxidation and luminescence
errPhys. Chem. Chem. Phys.
IF2.9
err2025-11-19
err0
PREAI
errAlessandro Bonardi; Michele Turelli; Anna Ranaudo; Giorgio Moro; Claudio Greco; Ilaria Ciofini; Ugo Cosentino; Carlo Adamo
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Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides
errChem. Sci.
IF7.4
err2025-11-04
err0
errOAAI
errEmile Escoudé; Manuel Pedrón; Lilian Bourqui; Geoffrey Gontard; Maxime R. Vitale; Ilaria Ciofini; Sami Lakhdar; Laurence Grimaud
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Visible-Light Photocatalyzed Selective Synthesis of 1,2- or 1,3-Dithianes From Thietanes: An Experimental and Theoretical Study
errAdvanced Synthesis & Catalysis
IF4
err2025-09-18
err0
errOAAI
errGabriel Cormier; Manuel Pedrón; Maria I. Lapuh; Regis Guillot; Ilaria Ciofini; Thomas Boddaert
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Ruthenium Terpyridine Complex Showing Stable Photocatalytic Hydrogen Evolution Under Red Light
errChem. Commun.
IF4.2
err2025-08-20
err0
errOAAI
errGabriel Mercier; Elodie Rousset; Ilyes Oubaha; Kamalika Bandyopadhyay; Amlan K. Pal; Ilaria Ciofini; Lise-Marie Chamoreau; Valerie Marvaud; Garry Hanan
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Adaptable Range-Separated Hybrids for the Description of Excited States: Tuning the Range Separation Parameter on Effective Charge Transfer Distance
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-02-12
err1
PREAI
errYan, Tianhong; Bonardi, Alessandro; Adamo, Carlo; Ciofini, Ilaria
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Mechanistic insights on hydrazones synthesis: a combined theoretical and experimental study
errPHYSICAL CHEMISTRY CHEMICAL PHYSICS
IF2.9
err2025-01-01
err0
PREAI
errAssaad, Nissrine Al; Chamayou, Alain; Calvet, Rachel; Pedron, Manuel; Ciofini, Ilaria
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The vibrational spectra of a model boron dipyrromethene molecule in condensed phase: Experimental and theoretical insights
errDYES AND PIGMENTS
IF4.2
err2024-12-01
err0
errOAAI
errFeis, Alessandro; Gellini, Cristina; Pagliai, Marco; Ricci, Marilena; Adamo, Carlo; Ciofini, Ilaria; Korsaye, Feven Alemu; Turelli, Michele
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Preface of Carlo Adamo's virtual special issue
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-07-09
err0
PREAI
errBremond, Eric; Ciofini, Ilaria; Labat, Frederic; Tognetti, Vincent
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Computed versus experimental energy barriers in solution: Influence of the type of the density functional approximation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2024-06-07
err1
PREAI
errDenjean, Aurore E. F.; Rio, Jordan; Ciofini, Ilaria; Perrin, Marie-Eve L.; Payard, Pierre-Adrien
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3-Amido-benzo[b]silines: Straightforward Modular 2-Step Synthesis and Photophysical Properties
errADVANCED SYNTHESIS & CATALYSIS
IF4
err2024-04-19
err0
errOAAI
errGolling, Stephane; Yan, Tianhong; Mazan, Valerie; Leroux, Frederic R.; Ciofini, Ilaria; Donnard, Morgan
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Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-02-27
err2
errOAAI
errLi, Hanwei; Kermani, Maryam Mansoori; Ottochian, Alistar; Crescenzi, Orlando; Janesko, Benjamin G.; Truhlar, Donald G.; Scalmani, Giovanni; Frisch, Michael J.; Ciofini, Ilaria; Adamo, Carlo
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Photocatalyst-free, visible-light-induced regio- and stereoselective synthesis of phosphorylated enamines from N-allenamides via [1,3]-sulfonyl shift at room temperature
errCHEMICAL SCIENCE
IF7.4
err2024-01-01
err1
errOAAI
errGuo, Jia-Dong; Korsaye, Feven-Alemu; Schutz, Dorian; Ciofini, Ilaria; Miesch, Laurence
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Concerted versus stepwise proton transfer reactions in the [2, 2'-bipyridyl]-3-3'-diol molecule: A static and dynamic ab-initio investigation
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-08-16
err1
errOAAI
errBriccolani-Bandini, Lorenzo; Bremond, Eric; Pagliai, Marco; Cardini, Gianni; Ciofini, Ilaria; Adamo, Carlo
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Modeling the Electronic and Optical Properties of Lead-Based Perovskite Materials: Insights from Density Functional Theory and Electrostatic Embedding
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2023-03-20
err8
errOAAI
errSu, Jun; Luise, Davide; Ciofini, Ilaria; Labat, Frederic
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Protocols for the in-silico screening of the perceived color of industrial dyes: Anthraquinones and indigos as study cases
errDYES AND PIGMENTS
IF4.2
err2023-01-01
err2
errOAAI
errTirri, Bernardino; Turelli, Michele; Boissonnat, Guillaume; Ciofini, Ilaria; Adamo, Carlo
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Influence of PEG-containing cation on molecular state of water in water-Acetate based ionic liquids mixtures
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-12-01
err4
errOAAI
errKurchavov, D.; Rustambek, U.; Haddad, M.; Ottochian, A.; Lefevre, G.; Ciofini, I.; Lair, V.; Volovitch, P.
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Research Directions

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Co-authors
Cooperation Journals
D
Donald G. Truhlar
H-index: 187 · Papers: 1.9K
G
Gustavo E. Scuseria
H-index: 125 · Papers: 748
R
Robert J. Mayer
H-index: 110 · Papers: 632
M
Michael J. Frisch
H-index: 98 · Papers: 354
燕
燕召 (Yan Zhao)
H-index: 98 · Papers: 895
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