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Anibal Sierraalta
Anibal Sierraalta
Lab. Química-Física y Catálisis Computacional. Centro de Química. IVIC
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Synthesis and characterization of [Au (dppz) 2] Cl3. DNA interaction studies and biological activity against Leishmania (L) mexicana
M Navarro, C Hernández, I Colmenares, P Hernández, M Fernández, ...
Journal of inorganic biochemistry 101 (1), 111-116, 2007
892007
Diatomic molecule data for parametric methods. I
F Ruette, M Sánchez, R Anez, A Bermúdez, A Sierraalta
Journal of Molecular Structure: THEOCHEM 729 (1-2), 19-37, 2005
732005
Topological analysis of electron density distribution taken from a pseudopotential calculation
SF Vyboishchikov, A Sierraalta, G Frenking
Journal of computational chemistry 18 (3), 416-429, 1997
731997
Robust hydrogen-bonded self-assemblies from biimidazole complexes. Synthesis and structural characterization of [M (biimidazole) 2 (OH 2) 2] 2+(M= Co 2+, Ni 2+) complexes and ¡K
R Atencio, M Chacón, T González, A Briceño, G Agrifoglio, A Sierraalta
Dalton Transactions, 505-513, 2004
602004
Theoretical study of NO2 adsorption on a transition-metal zeolite model
A Sierraalta, R Añez, MR Brussin
Journal of Catalysis 205 (1), 107-114, 2002
542002
Synthesis, characterization and biological activity of trans-platinum (II) complexes with chloroquine
M Navarro, W Castro, AR Higuera-Padilla, A Sierraalta, MJ Abad, P Taylor, ...
Journal of Inorganic Biochemistry 105 (12), 1684-1691, 2011
482011
Necessary conditions for the mapping of £^ into £l
EV Ludea, A Sierraalta
Physical Review A 32 (1), 19, 1985
371985
Experimental and theoretical studies of the factors that influence the determination of molybdenum by electrothermal atomic absorption spectroscopy
Z Benzo, P Araujo, A Sierraalta, F Ruette
Analytical Chemistry 65 (8), 1107-1113, 1993
361993
Theoretical study of catalytic steam cracking on a asphaltene model molecule
I Machín, JC de Jesús, G Rivas, I Higuerey, J Córdova, P Pereira, ...
Journal of Molecular Catalysis A: Chemical 227 (1-2), 223-229, 2005
352005
Cativic: Parametric quantum chemistry package for catalytic reactions: I
F Ruette, M Sánchez, G Martorell, C González, R Anez, A Sierraalta, ...
International journal of quantum chemistry 96 (4), 321-332, 2004
342004
Stabilization of the (1 1 0) tetragonal zirconia surface by hydroxyl chemical transformation
R Añez, A Sierraalta, G Martorell, P Sautet
Surface science 603 (16), 2526-2531, 2009
312009
Analysis of parametric functionals in semiempirical approaches using simulation techniques
JR Primera, M Sánchez, M Romero, A Sierraalta, F Ruette
Journal of Molecular Structure: THEOCHEM 469 (1-3), 177-190, 1999
301999
Direct catalytic decomposition of NO with Cu¡VZSM-5: A DFT¡VONIOM study
R Izquierdo, LJ Rodríguez, R Añez, A Sierraalta
Journal of Molecular Catalysis A: Chemical 348 (1-2), 55-62, 2011
282011
Density functional study of the interaction of Cu+ ion-exchanged zeolites with H2O and SO2 molecules
A Sierraalta, A Bermudez, M Rosa-Brussin
Journal of Molecular Catalysis A: Chemical 228 (1-2), 203-210, 2005
272005
H2 interaction with S atoms of a MoS2 modelled catalytic site: electronic density analysis for S’Õ H formation
A Sierraalta, F Ruette
Journal of Molecular Catalysis A: Chemical 109 (3), 227-238, 1996
271996
A comparative study of effective core potential and full‐electron calculations in Mo compounds. I. An analysis of topological properties of bond charge distribution
A Sierraalta, F Ruette
Journal of computational chemistry 15 (3), 313-321, 1994
271994
Simulation techniques in parametric Hamiltonians
M Romero, M Sánchez, A Sierraalta, L Rincón, F Ruette
Journal of chemical information and computer sciences 39 (3), 543-549, 1999
251999
Periodic DFT study of water adsorption on m-WO3 (001), m-WO3 (100), h-WO3 (001) and h-WO3 (100). Role of hydroxyl groups on the stability of polar hexagonal surfaces
O Hurtado-Aular, AB Vidal, A Sierraalta, R Añez
Surface Science 694, 121558, 2020
222020
A simple method for the determination of the Tolman electronic parameter of different phosphorus containing ligands, by means of the average local ionization energy
DS Coll, AB Vidal, JA Rodríguez, E Ocando-Mavárez, R Añez, ...
Inorganica Chimica Acta 436, 163-168, 2015
222015
Theoretical study of Au/SAPO-11 catalyst and its potential use in thiophene HDS
B Griffe, JL Brito, A Sierraalta
Journal of Molecular Catalysis A: Chemical 315 (1), 28-34, 2010
222010
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