O. Castellano

发表

The interaction between NO and Z–CuO zeolite models: ab initio and density functional theory (DFT) study

H. Soscún, F. Arrieta, O. Castellano, 2002 .

Methodologies to analyze surface bonding properties using parametric and density functional methods

F. Ruette, Morella Sánchez, H. Soscún, 2010 .

An ab initio and DFT study of the interaction between ethanethiol and zeolites

A. Hinchliffe, F. Ruette, A. Sierraalta, 2007 .

B3LYP study of the dipole moment and the static dipole (hyper)polarizabilities of para-nitroaniline in gas phase

C. Toro, A. Hinchliffe, X. N. Phu, 2006 .

Theoretical Study of the σ–π and π–π Interactions in Heteroaromatic Monocyclic Molecular Complexes of Benzene, Pyridine, and Thiophene Dimers: Implications on the Resin–Asphaltene Stability in Crude Oil

H. Soscún, O. Castellano, Raquel Gimon, 2011 .

Size Distributions of Sulfur, Vanadium, and Nickel Compounds in Crude Oils, Residues, and Their Saturate, Aromatic, Resin, and Asphaltene Fractions Determined by Gel Permeation Chromatography Inductively Coupled Plasma High-Resolution Mass Spectrometry

C. Lienemann, B. Bouyssière, Vicmary Vargas, 2017 .

The interaction of cis-2-butene over a 10-ring Brönsted acid site of zeolite: a theoretical study

F. Ruette, F. Machado, H. Soscún, 2003 .

Ab initio SCF–MO study of the topology of the charge distribution of acid sites of zeolites

A. Hinchliffe, H. Soscún, O. Castellano, 1998 .

Linear and nonlinear optical properties of pyridine N-oxide molecule

Y. Alvarado, H. Soscún, A. Marcano, 2002 .

Effects of protonation on the dipole polarizability of monocyclic azines: a theoretical study

H. Soscún, O. Castellano, Javier Hernández, 2004 .

A comparative activity study of a new ultra-dispersed catalyst system for a hydrocracking/hydrotreating technology using vacuum residue oil: Merey/Mesa

J. Hernández, O. Castellano, S. Araujo, 2012 .

Static and dynamic dipole polarizabilities of 2- and 3-methylthiophenes in solution: experimental and theoretical determination

Y. Alvarado, Néstor Cubillán, H. Soscún, 2002 .

Theoretical study of the linear and nonlinear optical properties of polyacene-thiolate and polyphenylene-thiolate anions

A. Hinchliffe, M. Chrysos, M. Giffard, 2005 .

Theoretical and experimental study of optical second harmonic generation in new chiral thiolates salts

X. N. Phu, M. Giffard, Néstor Cubillán, 2006 .

Molecular Interactions between Orinoco Belt Resins

Y. Aray, H. Soscún, O. Castellano, 2012 .

REACTIVITY PARAMETERS OF BLACK GRAPHENE VS. WHITE GRAPHENE WITH DIMENSIONS OF 1.0 NM2: A COMPUTATIONAL QUANTUM CHEMISTRY STUDY

O. Castellano, V. Contreras, S. Rojas, 2016 .

The topology of the charge distribution of the silanol–thiophene van der Waals complex: ab initio and DFT study

H. Soscún, O. Castellano, Javier Hernández, 2000 .

Theoretical study in gas phase of linear and nonlinear optical properties of the ortho-, meta- and para-nitrophenol isomers

Merlín Rosales, Néstor Cubillán, H. Soscún, 2010 .

Relationship between unbranched alkane dimer interaction energies using different theoretical methods and correlations with thermodynamic properties

F. Ruette, Laura Rojas, A. Peraza, 2015 .

Theoretical study of the structural, vibrational, and topologic properties of the charge distribution of the molecular complexes between thiophene and Brönsted acid sites of zeolites

A. Hinchliffe, H. Soscún, O. Castellano, 2002 .