متابعة
Marika Savarese
Marika Savarese
Department of Drug Discovery and Development, Istituto Italiano di Tecnologia IIT
بريد إلكتروني تم التحقق منه على iit.it
عنوان
عدد مرات الاقتباسات
عدد مرات الاقتباسات
السنة
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
2112016
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
1482012
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
1412015
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
1072018
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
982015
Studies on the enantioselective iminium ion trapping of radicals triggered by an electron-relay mechanism
A Bahamonde, JJ Murphy, M Savarese, E Brémond, A Cavalli, ...
Journal of the American Chemical Society 139 (12), 4559-4567, 2017
652017
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
642018
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
612013
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
532014
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
492015
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
442017
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
422015
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
412015
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
402014
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
392016
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
392016
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
372017
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
362017
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
332016
Electron spin densities and density functional approximations: open-shell polycyclic aromatic hydrocarbons as case study
M Savarese, E Brémond, I Ciofini, C Adamo
Journal of Chemical Theory and Computation 16 (6), 3567-3577, 2020
262020
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مقالات 1–20