| Tipo Producción |
Título |
Autor |
Año de Producción |
DOI |
Revista |
Fuente |
Cuartil de ScimagoJR o JCR* |
|
Artículo en revista científica
|
h function: A protonic take on the numerical Fukui function as a graphical descriptor for deprotonation
|
Pineda-Urbina K.
|
2018
|
10.1002/qua.25532
|
International Journal of Quantum Chemistry
|
|
Q1
|
|
Artículo en revista científica
|
Local density fitting applied to second order propagator equations for core electron binding energies
|
Villalobos-Castro J.
|
2018
|
10.1016/j.comptc.2018.05.014
|
Computational and Theoretical Chemistry
|
|
Q3
|
|
Artículo en revista científica
|
Exploring the Structure, Energetic, and Magnetic Properties of Neutral Small Lithium Clusters Doped with Yttrium: Supermagnetic Atom Research
|
Mojica-Sánchez J.
|
2018
|
10.1021/acsomega.8b01463
|
ACS Omega
|
|
Q1
|
|
Artículo en revista científica
|
Quantum chemical and electrochemical studies of lysine modified carbon paste electrode surfaces for sensing dopamine
|
Kudur Jayaprakash G.
|
2018
|
10.1039/c7nj04998f
|
New Journal of Chemistry
|
|
Q1
|
|
Artículo en revista científica
|
Regioselectivity in hexagonal boron nitride co-doped graphene
|
Jayaprakash G.
|
2018
|
10.1039/c8nj03679a
|
New Journal of Chemistry
|
|
Q1
|
|
Book Chapter
|
Auxiliary density functional theory: From molecules to nanostructures
|
Calaminici P.
|
2017
|
10.1007/978-3-319-27282-5_16
|
Handbook of Computational Chemistry
|
|
|
|
Artículo en revista científica
|
Theoretical calculation of polarizability isotope effects
|
Moncada F.
|
2017
|
10.1007/s00894-017-3236-9
|
Journal of Molecular Modeling
|
|
Q3
|
|
Artículo en revista científica
|
Quantum chemical study of Triton X-100 modified graphene surface
|
Jayaprakash G.
|
2017
|
10.1016/j.electacta.2017.07.109
|
Electrochimica Acta
|
|
Q1
|
|
Artículo en revista científica
|
Analytical Fukui and cyclic voltammetric studies on ferrocene modified carbon electrodes and effect of Triton X-100 by immobilization method
|
Kudur Jayaprakash G.
|
2017
|
10.1016/j.electacta.2017.11.154
|
Electrochimica Acta
|
|
Q1
|
|
Artículo en revista científica
|
Theoretical and cyclic voltammetric studies on electrocatalysis of benzethonium chloride at carbon paste electrode for detection of dopamine in presence of ascorbic acid
|
Jayaprakash G.
|
2017
|
10.1016/j.molliq.2017.05.093
|
Journal of Molecular Liquids
|
|
Q1
|
|
Artículo en revista científica
|
Initial stage of the degradation of three common neonicotinoids: theoretical prediction of charge transfer sites
|
García-Hernández E.
|
2017
|
10.1039/c6nj02655a
|
New Journal of Chemistry
|
|
Q1
|
|
Artículo en revista científica
|
Analytic second derivatives from auxiliary density perturbation theory
|
Delgado-Venegas R.
|
2016
|
10.1063/1.4971292
|
Journal of Chemical Physics
|
|
Q1
|
|
Artículo en revista científica
|
Extended source model for diffusive coupling: Extended source model for diffusive coupling
|
González-Ochoa H.
|
2016
|
10.1140/epje/i2016-16004-y
|
European Physical Journal E
|
|
Q2
|
|
Conference Paper
|
Calculation of hyperpolarizabilities with auxiliary density perturbation theory
|
Flores-Moreno R.
|
2015
|
10.1063/1.4906631
|
AIP Conference Proceedings
|
|
No Aplica
|
|
Artículo en revista científica
|
LOWDIN: The any particle molecular orbital code
|
Flores-Moreno R.
|
2014
|
10.1002/qua.24500
|
International Journal of Quantum Chemistry
|
|
Q2
|
|
Artículo en revista científica
|
Antiradical capacity of a series of organotin(IV) compounds: A chemical reactivity study in the Density Functional Theory framework
|
Delgado-Alfaro R.
|
2014
|
10.1016/j.ica.2014.01.008
|
Inorganica Chimica Acta
|
|
Q2
|
|
Artículo en revista científica
|
Symbolic algebra development for higher-order electron propagator formulation and implementation
|
Tamayo-Mendoza T.
|
2014
|
10.1021/ct500204v
|
Journal of Chemical Theory and Computation
|
|
Q1
|
|
Artículo en revista científica
|
<sup>13</sup>C NMR and Fukui function analysis on C<inf>82</inf> hydroxylated fullerene through density functional theory
|
Méndez-Barrientos C.
|
2014
|
10.1080/00268976.2013.877168
|
Molecular Physics
|
|
Q2
|
|
Artículo en revista científica
|
A generalized any-particle propagator theory: Prediction of proton affinities and acidity properties with the proton propagator
|
Díaz-Tinoco M.
|
2013
|
10.1063/1.4805030
|
Journal of Chemical Physics
|
|
S/C***
|
|
Artículo en revista científica
|
Ab Initio study of <sup>2</sup>H nuclear quadrupole coupling constants in deuterated crystalline oxalic acid dehydrated polymorphs
|
Samaniego C.
|
2013
|
10.1080/15421406.2013.768500
|
Molecular Crystals and Liquid Crystals
|
|
S/C***
|