| 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 | 191 | 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 | 135 | 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 | 133 | 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 | 94 | 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 | 90 | 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, E Brémond, A Cavalli, ... Journal of the American Chemical Society 139 (12), 4559-4567, 2017 | 58 | 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 | 54 | 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 | 51 | 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 | 49 | 2015 |
| 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 | 41 | 2017 |
| 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 | 41 | 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 |
| 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 |
| 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 | 37 | 2017 |
| 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 | 34 | 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 | 32 | 2016 |
| A qualitative model to identify non-radiative decay channels: the spiropyran as case study M Savarese, U Raucci, PA Netti, C Adamo, N Rega, I Ciofini Theoretical Chemistry Accounts 135, 1-7, 2016 | 26 | 2016 |
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