Seeking for parameter-free double-hybrid functionals: The PBE0-DH model E Brémond, C Adamo The Journal of chemical physics 135 (2), 2011 | 299 | 2011 |
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 | 203 | 2016 |
Communication: Double-hybrid functionals from adiabatic-connection: The QIDH model É Brémond, JC Sancho-García, ÁJ Pérez-Jiménez, C Adamo The Journal of chemical physics 141 (3), 2014 | 187 | 2014 |
Communication: One third: A new recipe for the PBE0 paradigm CA Guido, E Brémond, C Adamo, P Cortona The Journal of Chemical Physics 138 (2), 2013 | 163 | 2013 |
TD-DFT vibronic couplings in anthraquinones: from basis set and functional benchmarks to applications for industrial dyes D Jacquemin, E Brémond, A Planchat, I Ciofini, C Adamo Journal of Chemical Theory and Computation 7 (6), 1882-1892, 2011 | 135 | 2011 |
Doubly hybrid density functional xDH-PBE0 from a parameter-free global hybrid model PBE0 IY Zhang, NQ Su, EAG Bremond, C Adamo, X Xu The Journal of chemical physics 136 (17), 2012 | 127 | 2012 |
Nonempirical double-hybrid functionals: An effective tool for chemists E Bremond, I Ciofini, JC Sancho-García, C Adamo Accounts of chemical research 49 (8), 1503-1513, 2016 | 118 | 2016 |
Communication: Rationale for a new class of double-hybrid approximations in density-functional theory J Toulouse, K Sharkas, E Brémond, C Adamo The Journal of chemical physics 135 (10), 2011 | 117 | 2011 |
DFT and proton transfer reactions: a benchmark study on structure and kinetics GF Mangiatordi, E Bremond, C Adamo Journal of chemical theory and computation 8 (9), 3082-3088, 2012 | 109 | 2012 |
Geometrically faithful homeomorphisms between the electron density and the bare nuclear potential PLA Popelier, ÉAG Brémond International Journal of Quantum Chemistry 109 (11), 2542-2553, 2009 | 105 | 2009 |
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 | 98 | 2018 |
Impact of vibronic couplings on perceived colors: two anthraquinones as a working example D Jacquemin, E Brémond, I Ciofini, C Adamo The journal of physical chemistry letters 3 (4), 468-471, 2012 | 95 | 2012 |
Range-separated hybrid density functionals made simple É Brémond, ÁJ Pérez-Jiménez, JC Sancho-García, C Adamo The Journal of Chemical Physics 150 (20), 2019 | 84 | 2019 |
The nature of vertical excited states of dyes containing metals for DSSC applications: insights from TD-DFT and density based indexes T Le Bahers, E Brémond, I Ciofini, C Adamo Physical Chemistry Chemical Physics 16 (28), 14435-14444, 2014 | 68 | 2014 |
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 | 63 | 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 | 58 | 2018 |
In silico assessment of drug substances chemical stability J Kieffer, É Brémond, P Lienard, G Boccardi Journal of Molecular Structure: THEOCHEM 954 (1-3), 75-79, 2010 | 57 | 2010 |
Is there still room for parameter free double hybrids? Performances of PBE0-DH and B2PLYP over extended benchmark sets D Bousquet, E Bremond, JC Sancho-Garcia, I Ciofini, C Adamo Journal of Chemical Theory and Computation 9 (8), 3444-3452, 2013 | 49 | 2013 |
Convenient general asymmetric synthesis of roche ester derivatives through catalytic asymmetric hydrogenation: steric and electronic effects of ligands C Pautigny, S Jeulin, T Ayad, Z Zhang, JP Genêt, ... Advanced Synthesis & Catalysis 350 (16), 2525-2532, 2008 | 47 | 2008 |
A reliable method for fitting TD-DFT transitions to experimental UV–visible spectra ÉAG Brémond, J Kieffer, C Adamo Journal of Molecular Structure: THEOCHEM 954 (1-3), 52-56, 2010 | 46 | 2010 |