SISTEMA INTEGRAL DE INFORMACIÓN ACADÉMICA - PÚBLICO

Vela A.
(Autor externo)

Obras con ISBN:2
Documentos en revistas:42
Colaboraciones en Tesis:0
Patentes:0
Obras con ISBN:
1.- Conceptual density functional theory in the grand canonical ensemble (2021)
 
2.- Analysis of Generalized Gradient Approximation for Exchange Energy* (2016)
 
Documentos en revistas:
1.- Temperature and external fields in conceptual density functional theory (2024)
 
2.- High spin iron(ii) complexes based on imidazolyl- and 1,2,3-triazolyl-thione ligands and NCE (E = S, Se or BH3) co-ligands: effect of the S-functional group on the structural and magnetic properties (2022)
 
3.- Study of organic reactions using chemical reactivity descriptors derived through a temperature-dependent approach (2020)
 
4.- Temperature-dependent approach to chemical reactivity concepts in density functional theory (2019)
 
5.- An Anionic Ring Locked into an Anionic Axle: A Metastable Rotaxane with Chemically Activated Electrostatic Stoppers (2019)
 
6.- Thermodynamic dual descriptor (2018)
 
7.- Thermodynamic Justification for the Parabolic Model for Reactivity Indicators with Respect to Electron Number and a Rigorous Definition for the Electrophilicity: The Essential Role Played by the Electronic Entropy (2018)
 
8.- Local chemical potential, local hardness, and dual descriptors in temperature dependent chemical reactivity theory (2017)
 
9.- Going beyond the three-state ensemble model: The electronic chemical potential and Fukui function for the general case (2017)
 
10.- Thermodynamic responses of electronic systems (2017)
 
11.- Thermodynamic hardness and the maximum hardness principle (2017)
 
12.- New Fukui, dual and hyper-dual kernels as bond reactivity descriptors (2017)
 
13.- The reactions of [(µ-H)M3(CO)9(CCSiMe3)] (M=Fe, Ru) with thiols: Cleavage of M-M and formation of M-S bonds in isomeric structures (2017)
 
14.- Reduced density gradient as a novel approach for estimating QSAR descriptors, and its application to 1, 4-dihydropyridine derivatives with potential antihypertensive effects (2016)
 
15.- Local and linear chemical reactivity response functions at finite temperature in density functional theory (2015)
 
16.- Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures (2015)
 
17.- Electronic chemical response indexes at finite temperature in the canonical ensemble (2015)
 
18.- The reaction of [Fe3(CO)12] with HC=CSiR 3 (R=Me, Ph) and reactivity of [HFe3(CO) 9(CCSiMe3)] with amines. Theoretical studies on NMR 1H and 13C chemical shifts and some advances in the theoretical determinations of pKa in cluster compounds (2014)
 
19.- Improved constraint satisfaction in a simple generalized gradient approximation exchange functional (2012)
 
20.- Lactic acid and lactoserum in vulvovaginal infections [Ácido láctico y lactoserum en infecciones vulvovaginales] (2010)
 
21.- Alcance de metas cardiometabólicas en pacientes de alto riesgo en un hospital de tercer nivel (2009)
 
22.- The vytorin on carotid intima-media thickness and overall arterial rigidity (VYCTOR) study (2009)
 
23.- Cardiovascular risk factors in the urban Mexican population: The FRIMEX study (2007)
 
24.- Chemically controlled self-assembly of [2]pseudorotaxanes based on 1,2-bis(benzimidazolium)ethane cations and 24-crown-8 macrocycles (2007)
 
25.- Comparative studies of the spectroscopy of Cu Cl 2: DFT versus standard ab initio approaches (2005)
 
26.- Cumplimiento de las metas con reductores del colesterol en pacientes mexicanos. El estudio COMETA México (2004)
 
27.- Theoretical study of the thermal dissociation mechanism of AH4 (A = Si, Ge, Sn, Pb) (2004)
 
28.- Study of the D?Sb (D = O, S) Transannular Interaction in Sb-Monohalogenated Dibenzostibocines - An Experimental and Theoretical Study (2003)
 
29.- Increased arterial stiffness in children with a parental history of hypertension (1999)
 
30.- Density Functional Calculation of 1JC-H Coupling Constants in Cyclohexane and Diheterocyclohexanes. Repercussion of Stereoelectronic Effects on Coupling Constants (1999)
 
31.- Structure and Energetics of Group 14 (IV-A) Halides: A Comparative Density Functional-Pseudopotential Study (1999)
 
32.- Achieving reliability of calculations for flat potential surfaces in density functional theory: The case of Al4 and Al4 +1 (1997)
 
33.- Rationalization of the anomalous 1H NMR chemical shifts in 1,3-diheterocyclohexanes (1997)
 
34.- Molecular quadrupole moments for the series of fluoro- and chlorobenzenes (1996)
 
35.- Cateterismo cardiaco diagnóstico e intervencionista a través de la arteria radial. (1996)
 
36.- Complejo hostil e infarto del miocardio. (1996)
 
37.- Stability of charged aluminum clusters (1994)
 
38.- Aluminum clusters. A comparison between all electron and model core potential calculations (1994)
 
39.- Quadrupole interactions in pure non-dipolar fluorinated or methylated benzenes and their binary mixtures (1993)
 
40.- An ab-initio electronic structure study of the chemisorption of small molecules in aluminum cluster ions (1993)
 
41.- Local softness and chemical reactivity of maleimide: nucleophilic addition (1992)
 
42.- Synthesis, crystal structure, and EHMO calculations for the nickel(II) complexes of imines derived from salicylaldehyde, 2-hydroxy-1-naphthaldehyde, and 3-hydroxy-2-naphthaldehyde (1987)
 
Colaboraciones en Tesis:No hay tesis de este autor.
Patentes:No hay patentes de este autor.