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Marco A. García-Revilla
Marco A. García-Revilla
Professor of Physical Chemistry, University of Guanajuato
Adresse e-mail validée de ugto.mx
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Hydrogen bond cooperativity and anticooperativity within the water hexamer
JM Guevara-Vela, E Romero-Montalvo, VAM Gómez, R Chávez-Calvillo, ...
Physical Chemistry Chemical Physics 18 (29), 19557-19566, 2016
1222016
Hydrogen‐Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach
JM Guevara‐Vela, R Chávez‐Calvillo, M García‐Revilla, ...
Chemistry–A European Journal 19 (42), 14304-14315, 2013
972013
Domain‐averaged exchange‐correlation energies as a physical underpinning for chemical graphs
M García‐Revilla, E Francisco, PLA Popelier, A Martin Pendas
ChemPhysChem 14 (6), 1211-1218, 2013
942013
Nature of chemical interactions from the profiles of electron delocalization indices
M García-Revilla, PLA Popelier, E Francisco, A Martin Pendas
Journal of chemical theory and computation 7 (6), 1704-1711, 2011
592011
Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory
R Chávez-Calvillo, M García-Revilla, E Francisco, ÁM Pendás, ...
Computational and Theoretical Chemistry 1053, 90-95, 2015
452015
A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants
E Francisco, AM Pendás, M García-Revilla, RÁ Boto
Computational and Theoretical Chemistry 1003, 71-78, 2013
412013
A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants
E Francisco, AM Pendás, M García-Revilla, RÁ Boto
Computational and Theoretical Chemistry 1003, 71-78, 2013
412013
Electron correlation in the interacting quantum atoms partition via coupled‐cluster lagrangian densities
FJ Holguín‐Gallego, R Chávez‐Calvillo, M García‐Revilla, E Francisco, ...
Journal of Computational Chemistry 37 (19), 1753-1765, 2016
382016
Performance of the density matrix functional theory in the quantum theory of atoms in molecules
M García-Revilla, E Francisco, A Costales, A Martín Pendás
The Journal of Physical Chemistry A 116 (4), 1237-1250, 2012
372012
Energetic and electron density analysis of hydrogen dissociation of protonated benzene
M García-Revilla, J Hernández-Trujillo
Physical Chemistry Chemical Physics 11 (38), 8425-8432, 2009
242009
Synthesis and experimental-computational characterization of nonlinear optical properties of triazacyclopentafluorene-coumarin derivatives
S García, JL Vázquez, M Rentería, IG Aguilar-Garduño, F Delgado, ...
Optical Materials 62, 231-239, 2016
202016
Design of fluorescent coumarin-hydroxamic acid derivatives as inhibitors of HDACs: Synthesis, anti-proliferative evaluation and docking studies
S García, I Mercado-Sánchez, L Bahena, Y Alcaraz, MA García-Revilla, ...
Molecules 25 (21), 5134, 2020
152020
Effects of lead and lead–melatonin exposure on protein and gene expression of metal transporters, proteins and the copper/zinc ratio in rats
KJ Soto-Arredondo, J Robles, E Díaz-Cervantes, C Ruiz-Ramírez, ...
Biometals 31, 859-871, 2018
142018
Noncovalent interactions between cisplatin and graphene prototypes
MR Cuevas‐Flores, MA Garcia‐Revilla, M Bartolomei
Journal of Computational Chemistry 39 (2), 71-80, 2018
142018
Electron number distribution functions with iterative Hirshfeld atoms
E Francisco, AM Pendás, A Costales, M García-Revilla
Computational and Theoretical Chemistry 975 (1-3), 2-8, 2011
132011
Chemical Interactions and Spin Structure in (O2)4: Implications for the ε-O2 Phase
MA García-Revilla, E Francisco, Á Martín Pendás, JM Recio, M Bartolomei, ...
Journal of Chemical Theory and Computation 9 (5), 2179-2188, 2013
112013
Predictive global models of cruzain inhibitors with large chemical coverage
JG Rosas-Jimenez, MA Garcia-Revilla, A Madariaga-Mazon, ...
ACS omega 6 (10), 6722-6735, 2021
102021
Interaction and reactivity of cisplatin physisorbed on graphene oxide nano-prototypes
MR Cuevas-Flores, M Bartolomei, MA García-Revilla, C Coletti
Nanomaterials 10 (6), 1074, 2020
82020
Binding of Pb-Melatonin and Pb-(Melatonin-metabolites) complexes with DMT1 and ZIP8: implications for lead detoxification
T Villaseñor-Granados, E Díaz-Cervantes, KJ Soto-Arredondo, ...
DARU Journal of Pharmaceutical Sciences 27, 137-148, 2019
72019
Solubility of functionalized single-wall carbon nanotubes in water: A theoretical study
E Díaz-Cervantes, MA García-Revilla, J Robles, F Aguilera-Granja
Theoretical Chemistry Accounts 136 (11), 127, 2017
72017
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