| 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 | 221 | 2009 |
| Should negative electron affinities be used for evaluating the chemical hardness? C Cárdenas, P Ayers, F De Proft, DJ Tozer, P Geerlings Physical Chemistry Chemical Physics 13 (6), 2285-2293, 2011 | 87 | 2011 |
| Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory C Cárdenas, PW Ayers, A Cedillo The Journal of chemical physics 134 (17), 2011 | 85 | 2011 |
| Proposal of a simple and effective local reactivity descriptor through a topological analysis of an orbital‐weighted fukui function R Pino‐Rios, O Yañez, D Inostroza, L Ruiz, C Cardenas, P Fuentealba, ... Journal of Computational Chemistry 38 (8), 481-488, 2017 | 77 | 2017 |
| The Fukui potential and the capacity of charge and the global hardness of atoms C Cárdenas, W Tiznado, PW Ayers, P Fuentealba The Journal of Physical Chemistry A 115 (11), 2325-2331, 2011 | 73 | 2011 |
| How to compute the Fukui matrix and function for systems with (quasi-) degenerate states P Bultinck, C Cardenas, P Fuentealba, PA Johnson, PW Ayers Journal of chemical theory and computation 10 (1), 202-210, 2014 | 69 | 2014 |
| Atomic charges and the electrostatic potential are ill-defined in degenerate ground states P Bultinck, C Cardenas, P Fuentealba, PA Johnson, PW Ayers Journal of Chemical Theory and Computation 9 (11), 4779-4788, 2013 | 61 | 2013 |
| Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series C Cárdenas, F Heidar-Zadeh, PW Ayers Physical Chemistry Chemical Physics 18 (36), 25721-25734, 2016 | 60 | 2016 |
| An explicit approach to conceptual density functional theory descriptors of arbitrary order F Heidar-Zadeh, M Richer, S Fias, RA Miranda-Quintana, M Chan, ... Chemical Physics Letters 660, 307-312, 2016 | 57 | 2016 |
| How reliable is the hard–soft acid–base principle? An assessment from numerical simulations of electron transfer energies C Cárdenas, PW Ayers Physical Chemistry Chemical Physics 15 (33), 13959-13968, 2013 | 51 | 2013 |
| Density functional theory of chemical reactivity P Fuentealba, C Cárdenas | 48 | 2015 |
| How predictive could alchemical derivatives be? M Munoz, C Cardenas Physical Chemistry Chemical Physics 19 (24), 16003-16012, 2017 | 46 | 2017 |
| In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity E Echegaray, C Cárdenas, S Rabi, N Rabi, S Lee, FH Zadeh, ... Journal of molecular modeling 19, 2779-2783, 2013 | 46 | 2013 |
| Relationships between the third-order reactivity indicators in chemical density-functional theory C Cárdenas, E Echegaray, D Chakraborty, JSM Anderson, PW Ayers The Journal of chemical physics 130 (24), 2009 | 46 | 2009 |
| Symmetric nonlocal weighted density approximations from the exchange-correlation hole of the uniform electron gas R Cuevas-Saavedra, D Chakraborty, S Rabi, C Cárdenas, PW Ayers Journal of Chemical Theory and Computation 8 (11), 4081-4093, 2012 | 43 | 2012 |
| The Fukui potential is a measure of the chemical hardness C Cárdenas Chemical Physics Letters 513 (1-3), 127-129, 2011 | 41 | 2011 |
| Theoretical study of the surface reactivity of alkaline earth oxides: Local density of states evaluation of the local softness C Cárdenas, F De Proft, E Chamorro, P Fuentealba, P Geerlings The Journal of chemical physics 128 (3), 2008 | 41 | 2008 |
| Further exploration of the Fukui function, hardness, and other reactivity indices and its relationships within the Kohn–Sham scheme P Fuentealba, E Chamorro, C Cardenas International Journal of Quantum Chemistry 107 (1), 37-45, 2007 | 40 | 2007 |
| On the exponential model for energy with respect to number of electrons P Fuentealba, C Cárdenas Journal of molecular modeling 19, 2849-2853, 2013 | 38 | 2013 |
| Magnon valley Hall effect in -based van der Waals heterostructures R Hidalgo-Sacoto, RI Gonzalez, EE Vogel, S Allende, JD Mella, ... Physical Review B 101 (20), 205425, 2020 | 37 | 2020 |
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