Marika Savarese - Dissemin

All papers authored by Marika Savarese

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2017 Marika Savarese

, Umberto Raucci, Ryoichi Fukuda, Carlo Adamo, Masahiro Ehara, Nadia Rega, Ilaria Ciofini

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

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Juan Carlos Sancho-García

, Ángel José Pérez-Jiménez

, Marika Savarese

, Éric Brémond

, Carlo Adamo

Determining the role of the underlying orbital-dependence of PBE0-DH and PBE-QIDH double-hybrid density functionals

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This paper is made freely available by the publisher.

Ana Bahamonde, John J. Murphy, Marika Savarese

, Eric Bremond, Andrea Cavalli, Paolo Melchiorre

Studies on the Enantioselective Iminium Ion Trapping of Radicals Triggered by an Electron-Relay Mechanism

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Juan-Carlos Sancho-García

, É. Brémond, {É}ric Brémond, Marika Savarese

, Aj J. Pérez-Jiménez, Carlo Adamo

Partnering dispersion corrections with modern parameter-free double-hybrid density functionals

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2016 Marika Savarese

, Umberto Raucci, Paolo Antonio Netti, Carlo Adamo, Nadia Rega

, Ilaria Ciofini

A qualitative model to identify non-radiative decay channels: the spiropyran as case study

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Marika Savarese

, Éric Brémond

, {É}ric Brémond, Carlo Adamo

Exploring the limits of recent exchange–correlation functionals in modeling lithium/benzene interaction

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Éric Brémond

, {É}ric Brémond, Marika Savarese

, Juan C. Sancho García

, Ángel J. Pérez Jiménez

, {Á}ngel J. Pérez-Jiménez, Carlo Adamo

Quadratic integrand double-hybrid made spin-component-scaled

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Juan Carlos Sancho-García

, Ángel José Pérez-Jiménez, Aj J. Pérez-Jiménez, Marika Savarese

, Eric Bremond, Carlo Adamo

Importance of Orbital Optimization for Double-Hybrid Density Functionals: Application of the OO-PBE-QIDH Model for Closed- and Open-Shell Systems

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Éric Brémond

, Marika Savarese

, Neil Qiang Su, Ángel José Pérez-Jiménez

, Xin Xu, Juan Carlos Sancho-García

, Carlo Adamo

Benchmarking Density Functionals on Structural Parameters of Small-/Medium-Sized Organic Molecules

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Marika Savarese

, Eric Bremond, Carlo Adamo, Nadia Rega, Ilaria Ciofini

Excited state proton transfer and intramolecular charge transfer in 1, 3 diketone molecules: a density functional theory based investigation

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2015 Marika Savarese

, Éric Brémond

, {É}ric Brémond, Liudmil Antonov, Ilaria Ciofini

, Carlo Adamo

Computational Insights into Excited-State Proton-Transfer Reactions in Azo and Azomethine Dyes

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Éric Brémond, {É}ric Brémond, Marika Savarese

, Angel Jose Perez-Jimenez, Ángel José Pérez-Jiménez, {Á}ngel José Pérez-Jiménez, Juan Carlos Sancho-Garcia, Juan Carlos Sancho-García

, Carlo Adamo

Systematic Improvement of Density Functionals through Parameter-Free Hybridization Schemes

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Francesco Bonaccorso, Nikolaos Balis, Minas M. Stylianakis, Marika Savarese

, Carlo Adamo, Mauro Gemmi, Vittorio Pellegrini, Emmanuel Stratakis, Emmanuel Kymakis

Functionalized Graphene as an Electron-Cascade Acceptor for Air-Processed Organic Ternary Solar Cells

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Carlo Adamo, Tangui Le Bahers, Tangui Le Bahers, Marika Savarese

, Liam Wilbraham, Gregorio Garc{́ı}a, Gregorio García

, Ryoichi Fukuda, Masahiro Ehara, Nadia Rega, Ilaria Ciofini

Exploring excited states using Time Dependent Density Functional Theory and density based indexes

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Umberto Raucci, Marika Savarese

, Carlo Adamo, Ilaria Ciofini

, Nadia Rega

Intrinsic and Dynamical Reaction Pathways of an Excited State Proton Transfer

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2014 Liudmil Antonov, Vera Deneva

, Svilen Simeonov, Vanya Kurteva, Aurelien Crochet

, Katharina M. Fromm, Boris Shivachev, Rositsa Nikolova, Marika Savarese

, Carlo Adamo

Controlled Tautomeric Switching in Azonaphthols Tuned by Substituents on the Phenyl Ring

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Angela Maria Cusano, Filippo Causa, Raffaella Della Moglie, Raffaella Della Moglie, Nunzia Falco, Pasqualina Liana Scognamiglio, Anna Aliberti, Raffaele Vecchione, Edmondo Battista, Daniela Marasco, Marika Savarese

, Umberto Raucci, Nadia Rega, Paolo Antonio Netti, Others

Integration of binding peptide selection and multifunctional particles as tool-box for capture of soluble proteins in serum

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Liam Wilbraham, Marika Savarese

, Nadia Rega, Carlo Adamo, Ilaria Ciofini

Describing Excited State Intramolecular Proton Transfer in Dual Emissive Systems: A Density Functional Theory Based Analysis

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Marika Savarese

, Umberto Raucci

, Paolo A. Netti, Carlo Adamo, Ilaria Ciofini

, Nadia Rega

Modeling of charge transfer processes to understand photophysical signatures: The case of Rhodamine 110

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Marika Savarese

, Umberto Raucci, Carlo Adamo, Paolo A. Netti, Ilaria Ciofini

, Nadia Rega

Non-radiative decay paths in rhodamines: new theoretical insights

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All papers authored by Marika Savarese