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Andrés Cedillo
Andrés Cedillo
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Cited by
Cited by
Year
Electrodonating and electroaccepting powers
JL Gázquez, A Cedillo, A Vela
The Journal of Physical Chemistry A 111 (10), 1966-1970, 2007
6802007
Variational method for determining the Fukui function and chemical hardness of an electronic system
PK Chattaraj, A Cedillo, RG Parr
The Journal of chemical physics 103 (17), 7645-7646, 1995
1951995
Reactivity indices and fluctuation formulas in density functional theory: isomorphic ensembles and a new measure of local hardness
BG Baekelandt, A Cedillo, RG Parr
The Journal of chemical physics 103 (19), 8548-8556, 1995
1131995
Fukui function from a gradient expansion formula, and estimate of hardness and covalent radius for an atom
PK Chattaraj, A Cedillo, RG Parr
The Journal of chemical physics 103 (24), 10621-10626, 1995
1081995
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
832011
Appraisal of chemical bond making, bond breaking, and electron transfer in solution in the light of the principle of maximum hardness
PK Chattaraj, A Cedillo, RG Parr, EM Arnett
The Journal of Organic Chemistry 60 (15), 4707-4714, 1995
761995
Atoms‐in‐molecules partitioning of a molecular density
A Cedillo, PK Chattaraj, RG Parr
International Journal of Quantum Chemistry 77 (1), 403-407, 2000
692000
Nucleophilicity index from perturbed electrostatic potentials
A Cedillo, R Contreras, M Galvan, A Aizman, J Andrés, VS Safont
The Journal of Physical Chemistry A 111 (12), 2442-2447, 2007
672007
Comparison between the frozen core and finite differences approximations for the generalized spin-dependent global and local reactivity descriptors in small molecules
J Garza, R Vargas, A Cedillo, M Galván, PK Chattaraj
Theoretical Chemistry Accounts 115, 257-265, 2006
662006
Chemical softness in model electronic systems: dependence on temperature and chemical potential
PK Chattaraj, A Cedillo, RG Parr
Chemical physics 204 (2-3), 429-437, 1996
641996
Koopmans-like approximation in the Kohn− Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional …
R Vargas, J Garza, A Cedillo
The Journal of Physical Chemistry A 109 (39), 8880-8892, 2005
612005
A perturbative approach to the Thomas–Fermi equation in terms of the density
A Cedillo
Journal of Mathematical Physics 34 (7), 2713-2717, 1993
451993
The variations of the hardness and the Kohn–Sham Fukui function under an external perturbation
P Fuentealba, A Cedillo
The Journal of chemical physics 110 (20), 9807-9811, 1999
431999
The Markovnikov regioselectivity rule in the light of site activation models
A Aizman, R Contreras, M Galván, A Cedillo, JC Santos, E Chamorro
The Journal of Physical Chemistry A 106 (34), 7844-7849, 2002
382002
Gas phase Lewis acidity and basicity scales for boranes, phosphines and amines based on the formation of donor–acceptor complexes
M Méndez, A Cedillo
Computational and Theoretical Chemistry 1011, 44-56, 2013
342013
New nonlocal exchange-energy functional from a kinetic-energy-density Padé-approximant model
A Cedillo, J Robles, JL Gázquez
Physical Review A 38 (4), 1697, 1988
261988
Quantum mechanical tunneling through barriers: A spreadsheet approach
A Cedillo
Journal of Chemical Education 77 (4), 528, 2000
242000
Global and local reactivity and activation patterns of HOOX (X= H, NO2, CO2-, SO3-) peroxides with solvent effects
F Aparicio, R Contreras, M Galván, A Cedillo
The Journal of Physical Chemistry A 107 (47), 10098-10104, 2003
232003
Charge transfer and adsorption energies in the iodine–Pt (1 1 1) interaction
A Tkatchenko, N Batina, A Cedillo, M Galván
Surface science 581 (1), 58-65, 2005
222005
On the existence of electronic states confined by charged groups in proteins
F Aparicio, J Ireta, A Rojo, L Escobar, A Cedillo, M Galvan
The Journal of Physical Chemistry B 107 (7), 1692-1697, 2003
192003
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