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I. Ciofini · SciRah

Researcher profile · Semantic Scholar

I. Ciofini

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I. Ciofini — researcher profile on SciRah

h-index: 55
Works: 288
Citations: 13K

Most-cited papers

Rationally designed ruthenium complexes for 1- and 2-photon photodynamic therapy
J. Karges, Shi Kuang, F. Maschietto, O. Blacque +3 more
2020Nature Communications211 citations Open access
Semantic Scholar
Rationally Designed Long-Wavelength Absorbing Ru(II) Polypyridyl Complexes as Photosensitizers for Photodynamic Therapy.
J. Karges, F. Heinemann, Marta Jakubaszek, F. Maschietto +10 more
2019Journal of the American Chemical Society176 citations Open access
Semantic Scholar
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
A. M. Teale, T. Helgaker, A. Savin, C. Adamo +66 more
2022Physical Chemistry, Chemical Physics - PCCP153 citations Open access
Semantic Scholar
Ultra-sensitive and selective hydrogen nanosensor with fast response at room temperature based on a single Pd/ZnO nanowire
O. Lupan, V. Postica, F. Labat, I. Ciofini +2 more
2018149 citations Open access
Semantic Scholar
Taming Nickel-Catalyzed Suzuki-Miyaura Coupling: A Mechanistic Focus on Boron-to-Nickel Transmetalation
Pierre‐Adrien Payard, L. Perego, I. Ciofini, L. Grimaud
201887 citations
Semantic Scholar
Revealing the Origins of Mechanically Induced Fluorescence Changes in Organic Molecular Crystals
L. Wilbraham, M. Louis, Domenico Alberga, A. Brosseau +6 more
2018Advances in Materials86 citations Open access
Semantic Scholar
Low-Temperature Solution Synthesis of Au-Modified ZnO Nanowires for Highly Efficient Hydrogen Nanosensors.
O. Lupan, V. Postica, N. Wolff, Jun Su +9 more
2019ACS Applied Materials and Interfaces65 citations Open access
Semantic Scholar
Multiconfiguration Pair-Density Functional Theory Predicts Spin-State Ordering in Iron Complexes with the Same Accuracy as Complete Active Space Second-Order Perturbation Theory at a Significantly Reduced Computational Cost.
L. Wilbraham, Pragya Verma, D. Truhlar, L. Gagliardi +1 more
2017Journal of Physical Chemistry Letters60 citations Open access
Semantic Scholar
Understanding Aggregation-Induced Emission in Molecular Crystals: Insights from Theory
D. Presti, L. Wilbraham, C. Targa, F. Labat +4 more
201759 citations Open access
Semantic Scholar
Double hybrids and time‐dependent density functional theory: An implementation and benchmark on charge transfer excited states
A. Ottochian, C. Morgillo, I. Ciofini, M. Frisch +2 more
2020Journal of Computational Chemistry51 citations
Semantic Scholar
Interfacial Engineering through Chloride-Functionalized Self-Assembled Monolayer for High-Performance Perovskite Solar Cells.
T. Zhu, Jun Su, F. Labat, I. Ciofini +1 more
2019ACS Applied Materials and Interfaces51 citations Open access
Semantic Scholar
Increasing the Cytotoxicity of Ru(II) Polypyridyl Complexes by tuning the Electronic Structure of Dioxo Ligands.
A. Notaro, Marta Jakubaszek, Nils Rotthowe, F. Maschietto +8 more
2019Journal of the American Chemical Society49 citations Open access
Semantic Scholar
Metrics for Molecular Electronic Excitations: A Comparison between Orbital- and Density-Based Descriptors.
M. Savarese, Ciro Achille Guido, É. Brémond, I. Ciofini +1 more
2017Journal of Physical Chemistry A41 citations Open access
Semantic Scholar
Functionalized Pd/ZnO Nanowires for Nanosensors
O. Lupan, V. Postica, R. Adelung, F. Labat +6 more
201840 citations Open access
Semantic Scholar
Atypical Lone Pair-π Interaction with Quinone Methides in a Series of Imido-Ferrociphenol Anticancer Drug Candidates.
Yong Wang, P. Pigeon, S. Top, J. Sanz García +4 more
2019Angewandte Chemie36 citations Open access
Semantic Scholar
Response Enhancement of Self‐Powered Visible‐Blind UV Photodetectors by Nanostructured Heterointerface Engineering
T. Zhu, Jun Su, J. Alvarez, G. Lefèvre +3 more
2019Advanced Functional Materials35 citations Open access
Semantic Scholar
A Ru(II) polypyridyl complex bearing aldehyde functions as a versatile synthetic precursor for long-wavelength absorbing photodynamic therapy photosensitizers.
J. Karges, F. Heinemann, F. Maschietto, M. Patra +4 more
2019Bioorganic & Medicinal Chemistry34 citations Open access
Semantic Scholar
Effects of Substituents on Transport Properties of Molecular Materials for Organic Solar Cells: A Theoretical Investigation
Domenico Alberga, I. Ciofini, G. Mangiatordi, A. Pedone +3 more
201734 citations Open access
Semantic Scholar
A general density-based index to analyze charge transfer phenomena: from models to butterfly molecules.
Léon Huet, Anna Perfetto, Francesco Muniz-Miranda, M. Campetella +2 more
2020Journal of Chemical Theory and Computation32 citations Open access
Semantic Scholar
A DFT Protocol for the Prediction of 31P NMR Chemical Shifts of Phosphine Ligands in First-Row Transition-Metal Complexes
Pierre‐Adrien Payard, L. Perego, L. Grimaud, I. Ciofini
2020Organometallics29 citations
Semantic Scholar
Assessing challenging intra‐ and inter‐molecular charge‐transfer excitations energies with double‐hybrid density functionals
É. Brémond, A. Ottochian, Á. Pérez-Jiménez, I. Ciofini +4 more
2021Journal of Computational Chemistry27 citations
Semantic Scholar
Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes.
L. Wilbraham, C. Adamo, I. Ciofini
2018Journal of Chemical Physics27 citations Open access
Semantic Scholar
How are the charge transfer descriptors affected by the quality of the underpinning electronic density?
F. Maschietto, M. Campetella, M. Frisch, G. Scalmani +2 more
2018Journal of Computational Chemistry26 citations Open access
Semantic Scholar
Chasing unphysical TD-DFT excited states in transition metal complexes with a simple diagnostic tool.
F. Maschietto, M. Campetella, J. Sanz García, C. Adamo +1 more
2021Journal of Chemical Physics25 citations
Semantic Scholar
Aggregation Effects on Pigment Coatings: Pigment Red 179 as a Case Study
Francesco Muniz-Miranda, Pierpaolo Minei, L. Contiero, F. Labat +4 more
2019ACS Omega25 citations Open access
Semantic Scholar
Facile One-Pot Synthesis of Ruthenium(II) Quaterpyridine-Based Photosensitizers for Photocatalyzed Hydrogen Production.
É. Rousset, I. Ciofini, V. Marvaud, G. Hanan
2017Inorganic Chemistry24 citations
Semantic Scholar
Modeling Multi-Step Organic Reactions: Can Density Functional Theory Deliver Misleading Chemistry?
Han-Wei Li, Maryam Mansoori Kermani, A. Ottochian, Orlando Crescenzi +6 more
2024Journal of the American Chemical Society21 citations Open access
Semantic Scholar
Quantifying partial hole-particle distance at the excited state: A revised version of the DCT index
M. Campetella, Anna Perfetto, I. Ciofini
2019Chemical Physics Letters20 citations Open access
Semantic Scholar
Theoretical approaches for predicting the color of rigid dyes in solution
S. Di Tommaso, Diane Bousquet, Delphine Moulin, F. Baltenneck +6 more
2017Journal of Computational Chemistry20 citations
Semantic Scholar
Direct Spirocyclization from Keto-sulfonamides: An Approach to Azaspiro Compounds.
F. Beltran, I. Fabre, I. Ciofini, L. Miesch
2017Organic Letters20 citations
Semantic Scholar
Red‐emitting tetraphenylethylene derivative with aggregation‐induced enhanced emission for luminescent solar concentrators: A combined experimental and density functional theory study
Cosimo Micheletti, Qinfan Wang, Francesco Ventura, M. Turelli +3 more
2022Aggregate19 citations Open access
Semantic Scholar
Design of dendritic core carbazole-based hole transporting materials for efficient and stable hybrid perovskite solar cells
Thanh‐Tuân Bui, M. Ulfa, F. Maschietto, A. Ottochian +4 more
2018Organic electronics19 citations Open access
Semantic Scholar
Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals.
J. García, É. Brémond, M. Campetella, I. Ciofini +1 more
2019Journal of Chemical Theory and Computation18 citations
Semantic Scholar
Role of dppf Monoxide in the Transmetalation Step of the Suzuki–Miyaura Coupling Reaction
Pierre‐Adrien Payard, A. Bohn, Damien Tocqueville, Khaoula Jaouadi +9 more
2021Organometallics17 citations Open access
Semantic Scholar
Electron Spin Densities and Density Functional Approximations: Open-Shell Polycyclic Aromatic Hydrocarbons as case study.
M. Savarese, É. Brémond, I. Ciofini, C. Adamo
2020Journal of Chemical Theory and Computation17 citations
Semantic Scholar
Comparing the performance of TD‐DFT and SAC‐CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study
M. Savarese, U. Raucci, R. Fukuda, C. Adamo +3 more
2017Journal of Computational Chemistry16 citations Open access
Semantic Scholar
Non-empirical double-hybrid density functionals as reliable tools for electronic structure calculations
J. Sancho-García, É. Brémond, Á. Pérez-Jiménez, I. Ciofini +1 more
2022Electronic Structure14 citations Open access
Semantic Scholar
Macrolactonization Reactions Driven by a Pentafluorobenzoyl Group.
Guillaume Force, Anna Perfetto, R. Mayer, I. Ciofini +1 more
2021Angewandte Chemie14 citations Open access
Semantic Scholar
A comparative investigation of the role of anchoring group on perylene monoimide dyes in NiO based dye-sensitized solar cells.
Yoann Farré, F. Maschietto, Jens Föhlinger, M. Wykes +6 more
2020ChemSusChem14 citations
Semantic Scholar
Electron Storage System Based on a Two-Way Inversion of Redox Potentials.
A. Gosset, L. Wilbraham, Š. Lachmanová, R. Sokolová +10 more
2020Journal of the American Chemical Society14 citations Open access
Semantic Scholar
An electron density based analysis to establish the electronic adiabaticity of proton coupled electron transfer reactions
U. Raucci, M. Chiariello, Federico Coppola, F. Perrella +3 more
2020Journal of Computational Chemistry14 citations
Semantic Scholar
Copper-Catalysed Hydroamination of N-Allenylsulfonamides: The Key Role of Ancillary Coordinating Groups
R. Blieck, L. Perego, I. Ciofini, L. Grimaud +2 more
2019Synthesis14 citations Open access
Semantic Scholar
Emissive Azobenzenes Delivered on a Silver Coordination Polymer.
Jing-Jing Yan, L. Wilbraham, Prem N. Basa, Mischa Schuttel +4 more
2018Inorganic Chemistry14 citations Open access
Semantic Scholar
Using Density Based Indexes and Wave Function Methods for the Description of Excited States: Excited State Proton Transfer Reactions as a Test Case.
J. Sanz García, F. Maschietto, M. Campetella, I. Ciofini
2018Journal of Physical Chemistry A14 citations Open access
Semantic Scholar
Double-Hybrid Functionals and Tailored Basis Set: Fullerene (C60) Dimer and Isomers as Test Cases.
É. Brémond, I. Ciofini, J. Sancho-García, C. Adamo
2019Journal of Physical Chemistry A13 citations Open access
Semantic Scholar
Modeling the Electronic and Optical Properties of Lead-Based Perovskite Materials: Insights from Density Functional Theory and Electrostatic Embedding
Jun-Hong Su, Davide Luise, I. Ciofini, F. Labat
2023Journal of Physical Chemistry C12 citations Open access
Semantic Scholar
Organic compounds for solid state luminescence enhancement/aggregation induced emission: a theoretical perspective.
M. Turelli, I. Ciofini, Qinfan Wang, A. Ottochian +2 more
2023Physical Chemistry, Chemical Physics - PCCP12 citations Open access
Semantic Scholar
A combined Monte Carlo/DFT approach to simulate UV‐vis spectra of molecules and aggregates: Merocyanine dyes as a case study
B. Tirri, Gloria Mazzone, A. Ottochian, J. Gomar +3 more
2021Journal of Computational Chemistry12 citations Open access
Semantic Scholar
Free Energy Profiles of Proton Transfer Reactions: Density Functional Benchmark from Biased Ab Initio Dynamics.
É. Brémond, M. Savarese, N. Rega, I. Ciofini +1 more
2022Journal of Chemical Theory and Computation10 citations
Semantic Scholar
Copper-Catalyzed Synthesis of Terminal vs. Fluorine-Substituted N- Allenamides via Addition of Diazo Compounds to Terminal Ynamides.
Yong-Xiang Zheng, Baptiste Moegle, Santanu Ghosh, Anna Perfetto +3 more
2021Chemistry10 citations
Semantic Scholar

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