| Chemical reactivity indexes in density functional theory H Chermette Journal of computational chemistry 20 (1), 129-154, 1999 | 1765 | 1999 |
| Density functional theory: a powerful tool for theoretical studies in coordination chemistry H Chermette Coordination chemistry reviews 178, 699-721, 1998 | 319 | 1998 |
| DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ... Physical chemistry chemical physics 24 (47), 28700-28781, 2022 | 287 | 2022 |
| Obtaining a gradient-corrected kinetic-energy functional from the Perdew-Wang exchange functional A Lembarki, H Chermette Physical Review A 50 (6), 5328, 1994 | 260 | 1994 |
| Photocatalytic decolorization of Remazol Black 5 (RB5) and Procion Red MX-5B—Isotherm of adsorption, kinetic of decolorization and mineralization K Sahel, N Perol, H Chermette, C Bordes, Z Derriche, C Guillard Applied Catalysis B: Environmental 77 (1-2), 100-109, 2007 | 174 | 2007 |
| Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅ NCH complex as a test case TA Wesolowski, H Chermette, J Weber The Journal of chemical physics 105 (20), 9182-9190, 1996 | 167 | 1996 |
| Nine questions on energy decomposition analysis J Andrés, PW Ayers, RA Boto, R Carbó‐Dorca, H Chermette, J Cioslowski, ... Journal of Computational Chemistry 40 (26), 2248-2283, 2019 | 151 | 2019 |
| Density functional theory study of some structural and energetic properties of small lithium clusters G Gardet, F Rogemond, H Chermette The Journal of chemical physics 105 (22), 9933-9947, 1996 | 128 | 1996 |
| Six questions on topology in theoretical chemistry PL Ayers, RJ Boyd, P Bultinck, M Caffarel, R Carbó-Dorca, M Causá, ... Computational and Theoretical Chemistry 1053, 2-16, 2015 | 124 | 2015 |
| Assessment of the exchange-correlation functionals for the physical description of spin transition phenomena by density functional theory methods: All the same? S Zein, SA Borshch, P Fleurat-Lessard, ME Casida, H Chermette The Journal of chemical physics 126 (1), 2007 | 124 | 2007 |
| Absorption spectra of several metal complexes revisited by the time-dependent density-functional theory-response theory formalism P Boulet, H Chermette, C Daul, F Gilardoni, F Rogemond, J Weber, ... The Journal of Physical Chemistry A 105 (5), 885-894, 2001 | 121 | 2001 |
| On the mechanism of hydrogen transfer in the HSCH (O)⇌(S) CHOH and HSNO⇌ SNOH reactions S Gutierrez-Oliva, B Herrera, A Toro-Labbe, H Chermette The Journal of Physical Chemistry A 109 (8), 1748-1751, 2005 | 119 | 2005 |
| Electrical properties of molybdenum disulfide MoS2. Experimental study and density functional calculation results O El Beqqali, I Zorkani, F Rogemond, H Chermette, RB Chaabane, ... Synthetic Metals 90 (3), 165-172, 1997 | 99 | 1997 |
| Minimum electrophilicity principle: an analysis based upon the variation of both chemical potential and absolute hardness C Morell, V Labet, A Grand, H Chermette Physical Chemistry Chemical Physics 11 (18), 3417-3423, 2009 | 98 | 2009 |
| New τ-dependent correlation functional combined with a modified Becke exchange E Proynov, H Chermette, DR Salahub The Journal of Chemical Physics 113 (22), 10013-10027, 2000 | 97 | 2000 |
| Assessment of several hybrid DFT functionals for the evaluation of bond length alternation of increasingly long oligomers D Jacquemin, A Femenias, H Chermette, I Ciofini, C Adamo, JM André, ... The Journal of Physical Chemistry A 110 (17), 5952-5959, 2006 | 95 | 2006 |
| Revisiting electroaccepting and electrodonating powers: proposals for local electrophilicity and local nucleophilicity descriptors C Morell, JL Gázquez, A Vela, F Guégan, H Chermette Physical Chemistry Chemical Physics 16 (48), 26832-26842, 2014 | 92 | 2014 |
| A proposal for an extended dual descriptor: a possible solution when frontier molecular orbital theory fails V Tognetti, C Morell, PW Ayers, L Joubert, H Chermette Physical Chemistry Chemical Physics 15 (34), 14465-14475, 2013 | 92 | 2013 |
| Is hyper-hardness more chemically relevant than expected? C Morell, A Grand, A Toro-Labbé, H Chermette Journal of molecular modeling 19 (7), 2893-2900, 2013 | 91 | 2013 |
| Correct dissociation behavior of radical ions such as in density functional calculations H Chermette, I Ciofini, F Mariotti, C Daul The Journal of Chemical Physics 114 (4), 1447-1453, 2001 | 87 | 2001 |
Christophe MorellUniversity of Lyon 1Verified email at univ-lyon1.fr
