Marika Savarese

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carlo adamoENSCP - Chimie ParistechVerified email at chimie-paristech.fr
Nadia RegaProfessor of Physical Chemistry, Department of Chemical Sciences, University of Napoli Federico IIVerified email at unina.it
Éric BrémondUniversité Paris CitéVerified email at u-paris.fr
Paolo NettiIstituto Italiano di tecnologia (IIT) and University of Naples Federico IIVerified email at unina.it
Juan-Carlos Sancho-García (ORCID:...Department of Physical Chemistry (University of Alicante)Verified email at ua.es
Xin XuDepartment of Chemistry, Fudan UniveristyVerified email at fudan.edu.cn
Liam WilbrahamExscientiaVerified email at exscientia.co.uk
Filippo CausaProfessor, University of Naples "Federico II"Verified email at unina.it
Masahiro EharaInstitute for Molecular Science, ProfessorVerified email at ims.ac.jp
Ilaria De SantoIstituto Italiano di Tecnologia and Univeristà Federico II di NapoliVerified email at iit.it
tangui le bahersUniversité Claude Bernard Lyon 1Verified email at ens-lyon.fr
Gregorio García (ORCID: 0000-0003-3...Universidad de ValladolidVerified email at uva.es
Andrea CavalliDirector, CECAM, EPFL-Lausanne (CH) - Professor, University of Bologna (IT)Verified email at unibo.it
Paolo MelchiorreUniversity of Bologna, Industrial Chemistry Department 'Toso Montanari'Verified email at unibo.it
Emmanuel KymakisProfessor, Dept. of ECE, Hellenic Mediterranean University & Director of Institute of Emerging TechnVerified email at hmu.gr
Emmanuel StratakisResearch Director, Foundation for Research and Technology Hellas (FORTH)-IESL Greece HellasVerified email at iesl.forth.gr
Mauro GemmiIstituto Italiano di TecnologiaVerified email at iit.it
Minas M. StylianakisAsst Professor, Dept of Nursing, Hellenic Mediterranean University (HMU) - IESL FORTHVerified email at hmu.gr
Francesco BonaccorsoBeDimensional S.p.A., Istituto Italiano di TecnologiaVerified email at iit.it
Denis JacqueminProf. University of NantesVerified email at univ-nantes.fr

Marika Savarese

Department of Drug Discovery and Development, Istituto Italiano di Tecnologia IIT

Verified email at iit.it

Theoretical and Computational Chemistry


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Benchmarking density functionals on structural parameters of small-/medium-sized organic molecules É Brémond, M Savarese, NQ Su, ÁJ Pérez-Jiménez, X Xu, ... Journal of chemical theory and computation 12 (2), 459-465, 2016	187	2016
Fluorescence lifetimes and quantum yields of rhodamine derivatives: new insights from theory and experiment M Savarese, A Aliberti, I De Santo, E Battista, F Causa, PA Netti, N Rega The Journal of Physical Chemistry A 116 (28), 7491-7497, 2012	134	2012
Exploring excited states using time dependent density functional theory and density-based indexes C Adamo, T Le Bahers, M Savarese, L Wilbraham, G García, R Fukuda, ... Coordination Chemistry Reviews 304, 166-178, 2015	128	2015
Functionalized graphene as an electron‐cascade acceptor for air‐processed organic ternary solar cells F Bonaccorso, N Balis, MM Stylianakis, M Savarese, C Adamo, M Gemmi, ... Advanced Functional Materials 25 (25), 3870-3880, 2015	95	2015
Accuracy of TD-DFT geometries: a fresh look E Bremond, M Savarese, C Adamo, D Jacquemin Journal of chemical theory and computation 14 (7), 3715-3727, 2018	87	2018
Exploring the metric of excited state proton transfer reactions M Savarese, PA Netti, C Adamo, N Rega, I Ciofini The Journal of Physical Chemistry B 117 (50), 16165-16173, 2013	61	2013
Studies on the enantioselective iminium ion trapping of radicals triggered by an electron-relay mechanism A Bahamonde, JJ Murphy, M Savarese, É Brémond, A Cavalli, ... Journal of the American Chemical Society 139 (12), 4559-4567, 2017	55	2017
Range-separated double-hybrid functional from nonempirical constraints E Bremond, M Savarese, ÁJ Pérez-Jiménez, JC Sancho-García, C Adamo Journal of Chemical Theory and Computation 14 (8), 4052-4062, 2018	50	2018
Non-radiative decay paths in rhodamines: new theoretical insights M Savarese, U Raucci, C Adamo, PA Netti, I Ciofini, N Rega Physical Chemistry Chemical Physics 16 (38), 20681-20688, 2014	50	2014
Describing excited state intramolecular proton transfer in dual emissive systems: A density functional theory based analysis L Wilbraham, M Savarese, N Rega, C Adamo, I Ciofini The Journal of Physical Chemistry B 119 (6), 2459-2466, 2015	48	2015
Systematic improvement of density functionals through parameter-free hybridization schemes E Bremond, M Savarese, ÁJ Pérez-Jiménez, JC Sancho-García, C Adamo The journal of physical chemistry letters 6 (18), 3540-3545, 2015	40	2015
Intrinsic and dynamical reaction pathways of an excited state proton transfer U Raucci, M Savarese, C Adamo, I Ciofini, N Rega The Journal of Physical Chemistry B 119 (6), 2650-2657, 2015	40	2015
Intermolecular proton shuttling in excited state proton transfer reactions: insights from theory M Savarese, PA Netti, N Rega, C Adamo, I Ciofini Physical Chemistry Chemical Physics 16 (18), 8661-8666, 2014	40	2014
Metrics for molecular electronic excitations: A comparison between orbital-and density-based descriptors M Savarese, CA Guido, E Bremond, I Ciofini, C Adamo The Journal of Physical Chemistry A 121 (40), 7543-7549, 2017	39	2017
Speed-up of the excited-state benchmarking: Double-hybrid density functionals as test cases É Brémond, M Savarese, ÁJ Pérez-Jiménez, JC Sancho-Garcia, C Adamo Journal of Chemical Theory and Computation 13 (11), 5539-5551, 2017	38	2017
Importance of orbital optimization for double-hybrid density functionals: Application of the OO-PBE-QIDH model for closed-and open-shell systems JC Sancho-Garcia, AJ Pérez-Jiménez, M Savarese, E Brémond, C Adamo The Journal of Physical Chemistry A 120 (10), 1756-1762, 2016	38	2016
Quadratic integrand double-hybrid made spin-component-scaled É Brémond, M Savarese, JC Sancho-García, ÁJ Pérez-Jiménez, C Adamo The Journal of chemical physics 144 (12), 2016	35	2016
Partnering dispersion corrections with modern parameter-free double-hybrid density functionals JC Sancho-Garcia, É Brémond, M Savarese, AJ Pérez-Jiménez, C Adamo Physical Chemistry Chemical Physics 19 (21), 13481-13487, 2017	32	2017
Exploring the limits of recent exchange–correlation functionals in modeling lithium/benzene interaction M Savarese, E Bremond, C Adamo Theoretical Chemistry Accounts 135, 1-11, 2016	30	2016
Optoeletronic properties of poly (N‐alkenyl‐carbazole) s driven by polymer stereoregularity A Botta, C Costabile, V Venditto, S Pragliola, R Liguori, A Rubino, ... Journal of Polymer Science Part A: Polymer Chemistry 56 (2), 242-251, 2018	25	2018

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