Fernando Ruette
Fernando Ruette
Chemistry Center, IVIC, Caracas, Venezuela
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Cited by
Cited by
Semi-empirical calculation method for transition metals
G Blyholder, J Head, F Ruette
Theoretica chimica acta 60, 429-444, 1982
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
Quantum chemistry approaches to chemisorption and heterogeneous catalysis
F Ruette
Springer Science & Business Media, 2013
Semi-empirical calculation of H atom interaction with a 12 atom iron cluster
G Blyholder, J Head, F Ruette
Surface science 131 (2-3), 403-418, 1983
Theoretical modeling of molecular interactions of iron with asphaltenes from heavy crude oil
S Rosales, I Machín, M Sánchez, G Rivas, F Ruette
Journal of Molecular Catalysis A: Chemical 246 (1-2), 146-153, 2006
Chemisorption of atomic H, C, N and O on a cluster-model graphite surface
T Fromherz, C Mendoza, F Ruette
Monthly Notices of the Royal Astronomical Society 263 (4), 851-860, 1993
Semiempirical calculation of iron-oxygen interactions
G Blyholder, J Head, F Ruette
Inorganic Chemistry 21 (4), 1539-1545, 1982
Molecular analogs of surface species. 2. A theoretical study of molybdenum carbonyl thiophene complexes: Organometallic models for the chemisorption of thiophene
F Ruette, N Valencia, R Sanchez-Delgado
Journal of the American Chemical Society 111 (1), 40-46, 1989
Bonding and potential energy curves for NiH and NiH2
F Ruette, G Blyholder, J Head
The Journal of chemical physics 80 (5), 2042-2048, 1984
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
Quantum-chemical modeling of interstellar grain prebiotic chemistry: Catalytic synthesis of glycine and alanine on the surface of a polycyclic aromatic hydrocarbon flake
C Mendoza, F Ruette, G Martorell, LS Rodriguez
The Astrophysical Journal 601 (1), L59, 2004
Mo ab initio MCSCF calculation of the charge topology in the H abstraction from CH4 by MgO and LiO molecules
Y Aray, J Rodriguez, F Ruette
Journal of physical chemistry (1952) 97 (32), 8393-8398, 1993
Molecular orbital calculations of the hydrodesulfurization of thiophene over a Mo Co catalyst
F Ruette, EV Ludeña
Journal of Catalysis 67 (2), 266-281, 1981
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
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
The importance of global minimization and adequate theoretical tools for cluster optimization: the Ni6 cluster case
F Ruette, C González
Chemical physics letters 359 (5-6), 428-433, 2002
Pyridine adsorption on a MoS2 modelled surface (Mo3S8). A CNDO molecular orbital study
AE Gainza, EN Rodríguez-Arias, F Ruette
Journal of molecular catalysis 85 (3), 345-359, 1993
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
Molecular orbital calculations of the dissociative adsorption of a hydrogen molecule on a 14 atom nickel cluster
F Ruette, A Hernández, EV Ludeña
Surface Science 151 (1), 103-127, 1985
Modeling extra framework aluminum (EFAL) formation in the zeolite ZSM-5 using parametric quantum and DFT methods
O Lisboa, M Sánchez, F Ruette
Journal of Molecular Catalysis A: Chemical 294 (1-2), 93-101, 2008
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