עקוב אחר
Carlos Cardenas
Carlos Cardenas
Professor, Universidad de Chile
כתובת אימייל מאומתת בדומיין uchile.cl - דף הבית
כותרת
צוטט על ידי
צוטט על ידי
שנה
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
2422009
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
992017
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
912011
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
902011
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
812011
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
732014
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
692016
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
682016
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
642013
Density functional theory of chemical reactivity‏
P Fuentealba, C Cárdenas‏
552015
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
532013
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
502009
How predictive could alchemical derivatives be?‏
M Muñoz, C Cárdenas‏
Physical Chemistry Chemical Physics 19 (24), 16003-16012, 2017‏
492017
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
482013
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
482012
Additive manufacturing in armor and military applications: research, materials, processing technologies, perspectives, and challenges‏
HA Colorado, CA Cardenas, EI Gutierrez-Velazquez, JP Escobedo, ...‏
Journal of Materials Research and Technology 27, 3900-3913, 2023‏
472023
The Fukui potential is a measure of the chemical hardness‏
C Cárdenas‏
Chemical Physics Letters 513 (1-3), 127-129, 2011‏
442011
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
422020
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
422008
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
412007
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מאמרים 1–20