| New dual descriptor for chemical reactivity C Morell, A Grand, A Toro-Labbé The journal of physical chemistry A 109 (1), 205-212, 2005 | 1345 | 2005 |
| Theoretical support for using the Δf (r) descriptor C Morell, A Grand, A Toro-Labbé Chemical Physics Letters 425 (4-6), 342-346, 2006 | 427 | 2006 |
| Conceptual density functional theory: status, prospects, issues P Geerlings, E Chamorro, PK Chattaraj, F De Proft, JL Gázquez, S Liu, ... Theoretical Chemistry Accounts 139 (2), 36, 2020 | 373 | 2020 |
| Understanding the Woodward–Hoffmann rules by using changes in electron density PW Ayers, C Morell, F De Proft, P Geerlings Chemistry–A European Journal 13 (29), 8240-8247, 2007 | 276 | 2007 |
| Chemical reactivity descriptors for ambiphilic reagents: dual descriptor, local hypersoftness, and electrostatic potential C Cárdenas, N Rabi, PW Ayers, C Morell, P Jaramillo, P Fuentealba The Journal of Physical Chemistry A 113 (30), 8660-8667, 2009 | 242 | 2009 |
| Theoretical aspects of chemical reactivity A Toro-Labbé Elsevier, 2006 | 169 | 2006 |
| Rationalization of Diels–Alder reactions through the use of the dual reactivity descriptor Δ f (r) C Morell, PW Ayers, A Grand, S Gutiérrez-Oliva, A Toro-Labbe Physical Chemistry Chemical Physics 10 (48), 7239-7246, 2008 | 114 | 2008 |
| 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 | 91 | 2009 |
| 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 | 89 | 2013 |
| 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 | 84 | 2014 |
| Is hyper-hardness more chemically relevant than expected? C Morell, A Grand, A Toro-Labbé, H Chermette Journal of molecular modeling 19, 2893-2900, 2013 | 83 | 2013 |
| Probing the reactivity of singlet oxygen with purines E Dumont, R Grüber, E Bignon, C Morell, Y Moreau, A Monari, JL Ravanat Nucleic acids research 44 (1), 56-62, 2016 | 66 | 2016 |
| A conceptual DFT study of hydrazino peptides: assessment of the nucleophilicity of the nitrogen atoms by means of the dual descriptor Δf (r) C Morell, A Hocquet, A Grand, B Jamart-Grégoire Journal of Molecular Structure: THEOCHEM 849 (1-3), 46-51, 2008 | 63 | 2008 |
| Formation of cross-linked adducts between guanine and thymine mediated by hydroxyl radical and one-electron oxidation: a theoretical study V Labet, C Morell, A Grand, J Cadet, P Cimino, V Barone Organic & Biomolecular Chemistry 6 (18), 3300-3305, 2008 | 56 | 2008 |
| Hydrolytic Deamination of 5-Methylcytosine in Protic Medium A Theoretical Study V Labet, C Morell, J Cadet, LA Eriksson, A Grand The Journal of Physical Chemistry A 113 (11), 2524-2533, 2009 | 50 | 2009 |
| Theoretical study of cytosine deamination from the perspective of the reaction force analysis V Labet, C Morell, A Grand, A Toro-Labbé The Journal of Physical Chemistry A 112 (45), 11487-11494, 2008 | 49 | 2008 |
| Quantifying electro/nucleophilicity by partitioning the dual descriptor V Tognetti, C Morell, L Joubert Journal of Computational Chemistry 36 (9), 649-659, 2015 | 47 | 2015 |
| Molecular Dynamics Insights into Polyamine–DNA Binding Modes: Implications for Cross‐Link Selectivity E Bignon, CH Chan, C Morell, A Monari, JL Ravanat, E Dumont Chemistry–A European Journal 23 (52), 12845-12852, 2017 | 44 | 2017 |
| Is an elementary reaction step really elementary? Theoretical decomposition of asynchronous concerted mechanisms V Labet, C Morell, A Toro-Labbé, A Grand Physical Chemistry Chemical Physics 12 (16), 4142-4151, 2010 | 42 | 2010 |
| Acute aquatic toxicity of organic solvents modeled by QSARs A Levet, C Bordes, Y Clément, P Mignon, C Morell, H Chermette, ... Journal of molecular modeling 22, 1-14, 2016 | 40 | 2016 |
Alejandro Toro-LabbeLaboratorio de Química Teórica Computacional (QTC), Pontificia Universidad Catolica de Chileยืนยันอีเมลแล้วที่ puc.cl