Andres Cedillo
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Explore the profile of Andres Cedillo including associated specialties, affiliations and a list of published articles.
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11
Citations
143
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Recent Articles
1.
Cedillo A, Martinez-Aguilar J
J Mol Model
. 2024 Jul;
30(8):269.
PMID: 39012379
Context: Constrained methods in electronic structure methodologies add terms to the variational equations and generate solutions that represent distorted electronic distributions. In some cases, the new solutions can be used...
2.
Cedillo A
J Phys Chem A
. 2020 Jan;
124(5):858-863.
PMID: 31922757
The interaction between a Lewis base and a proton produces large changes in the electron distribution of the proton-accepting species. The quantum description of the change in the electronic properties...
3.
Cedillo A, Cardenas C
J Phys Chem A
. 2019 Sep;
123(40):8696-8701.
PMID: 31525052
The chemical reactivity of molecular clusters, mainly from the same atom type, is analyzed by using the Fukui function. The Fukui function at each atomic site is estimated from a...
4.
Cedillo A
J Phys Chem A
. 2019 Aug;
123(34):7540-7541.
PMID: 31381857
Recently, an analysis of some linear molecular chains showed that the molecular energy grows as a linear function of the number of fragments in molecules of the form A-B-C, where...
5.
Mendez M, Cedillo A
J Mol Model
. 2018 Aug;
24(9):238.
PMID: 30120567
The chemical reactivity of a set of borophosphines of the general formula RB-G-PY, where G is the connector group between the Lewis acidic site, a borane group, and the Lewis...
6.
Cedillo A, Torrent M, Cortona P
J Phys Condens Matter
. 2016 Apr;
28(18):185401.
PMID: 27073175
The pressure effects on three different AlOOH structures (α, γ, and δ phases) are systematically analyzed by density functional theory with different exchange and correlation energy functional approximations, namely two...
7.
Bultinck P, Van Damme S, Cedillo A
J Comput Chem
. 2013 Aug;
34(28):2421-9.
PMID: 23939806
Bond Fukui functions and matrices are introduced for ab initio levels of theory using a Mulliken atoms in molecules model. It is shown how these indices may be obtained from...
8.
Cardenas C, Ayers P, Cedillo A
J Chem Phys
. 2011 May;
134(17):174103.
PMID: 21548669
Density-functional-theory-based chemical reactivity indicators are formulated for degenerate and near-degenerate ground states. For degenerate states, the functional derivatives of the energy with respect to the external potential do not exist,...
9.
Gazquez J, Cedillo A, Vela A
J Phys Chem A
. 2007 Feb;
111(10):1966-70.
PMID: 17305319
By introducing an electron bath that represents the chemical environment in which a chemical species is immersed, and by making use of the second-order Taylor series expansions of the energy...
10.
Vargas R, Garza J, Cedillo A
J Phys Chem A
. 2006 Jul;
109(39):8880-92.
PMID: 16834292
A Koopmans-like approximation is introduced in the spin-polarized version of the Kohn-Sham (KS) density functional theory to obtain a relation between KS orbital energies and vertical ionization potential and electron...