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doris guerra
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引用次数
引用次数
年份
Structural studies of the water pentamer
F Ramírez, CZ Hadad, D Guerra, J David, A Restrepo
Chemical Physics Letters 507 (4-6), 229-233, 2011
1082011
Activity of cytisine and its brominated isosteres on recombinant human α7, α4β2 and α4β4 nicotinic acetylcholine receptors
LM Houlihan, Y Slater, DL Guerra, JH Peng, YP Kuo, RJ Lukas, ...
Journal of neurochemistry 78 (5), 1029-1043, 2001
832001
Structural Characterization of the (Methanol)4 Potential Energy Surface
J David, D Guerra, A Restrepo
The Journal of Physical Chemistry A 113 (38), 10167-10173, 2009
612009
Density functional based reactivity parameters: Thermodynamic or kinetic concepts?
P Fuentealba, J David, D Guerra
Journal of Molecular Structure: THEOCHEM 943 (1-3), 127-137, 2010
462010
Structures, energies, and bonding in the water heptamer
N Acelas, G Hincapié, D Guerra, J David, A Restrepo
The Journal of Chemical Physics 139 (4), 2013
432013
A combined experimental and computational study of the molecular interactions between anionic ibuprofen and water
A Zapata-Escobar, M Manrique-Moreno, D Guerra, CZ Hadad, A Restrepo
The Journal of chemical physics 140 (18), 2014
342014
A detailed look at the reaction mechanisms of substituted carbenes with water
S Gomez, D Guerra, JG Lopez, A Toro-Labbe, A Restrepo
The Journal of Physical Chemistry A 117 (9), 1991-1999, 2013
312013
Reactivity of δ-substituted α, β-unsaturated cyclic lactones with antileishmanial activity
W Cardona, D Guerra, A Restrepo
Molecular Simulation 40 (6), 477-484, 2014
272014
Structure and Reactivity of the 1Au6Pt Clusters
J David, D Guerra, CZ Hadad, A Restrepo
The Journal of Physical Chemistry A 114 (39), 10726-10731, 2010
272010
The Jahn−Teller Effect: A Case of Incomplete Theory for d4 Complexes?
J David, D Guerra, A Restrepo
Inorganic Chemistry 50 (4), 1480-1483, 2011
252011
Structure, stability and bonding in the 1Au10 clusters
J David, D Guerra, A Restrepo
Chemical Physics Letters 539, 64-69, 2012
242012
Homofugality: A new reactivity index describing the leaving group ability in homolytic substitution reactions
D Guerra, R Castillo, J Andrés, P Fuentealba, A Aizman, R Contreras
Chemical physics letters 424 (4-6), 437-442, 2006
222006
A detailed look at the bonding interactions in the microsolvation of monoatomic cations
N Rojas-Valencia, S Gómez, D Guerra, A Restrepo
Physical Chemistry Chemical Physics 22 (23), 13049-13061, 2020
212020
(H 3 N–BH 3) 4: the ammonia borane tetramer
D Guerra, J David, A Restrepo
Physical Chemistry Chemical Physics 14 (43), 14892-14897, 2012
212012
Understanding the chemical reactivity of phenylhalocarbene systems: an analysis based on the spin-polarized density functional theory
D Guerra, J Andrés, E Chamorro, P Pérez
Theoretical Chemistry Accounts 118 (2), 325-335, 2007
212007
Very weak interactions: structures, energies and bonding in the tetramers and pentamers of hydrogen sulfide
C Ibargüen, D Guerra, CZ Hadad, A Restrepo
RSC Advances 4 (102), 58217-58225, 2014
192014
Two state reactivity mechanism for the rearrangement of hydrogen peroxynitrite to nitric acid
R Contreras, M Galván, M Oliva, VS Safont, J Andrés, D Guerra, A Aizman
Chemical Physics Letters 457 (1-3), 216-221, 2008
192008
Modeling pressure effects on the electronic properties of Ca, Sr, and Ba by the confined atoms model
D Guerra, R Vargas, P Fuentealba, J Garza
Advances in Quantum Chemistry 58, 1-12, 2009
162009
Hardness and softness kernels, and related indices in the spin polarized version of density functional theory
D Guerra, R Contreras, P Pérez, P Fuentealba
Chemical physics letters 419 (1-3), 37-43, 2006
162006
Structural characterization of the (MeSH)4 potential energy surface
S Gómez, D Guerra, J David, A Restrepo
Journal of molecular modeling 19, 2173-2181, 2013
142013
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