Publicações

Evolution of active intermediates in MTO reaction on a Chabazite catalyst, EMF Pereira, A Lopez-Castillo, L Martins, Microporous and Mesoporous Materials 389, 113574, 2025.

Unraveling the mechanism of CH3CH2OH dehydrogenation on m-ZrO2 (111) surface, Au13 cluster, and Au13 cluster/m-ZrO2 (111) surface: A DFT and microkinetic modeling study, LH Morais, A López-Castillo, J Andres, Applied Surface Science 680, 161418, 2025.

Impact of Potassium Addition on the Performance of Ni/MgAl2O4 Catalysts in Steam Reforming of Bio-Oil Model Compounds, AR Taschin, DD Petrolini, AH Braga, A Baiotto, AP Ferreira, ..., ACS Engineering Au, 2024.

The phosphodiester dissociative hydrolysis of a DNA model promoted by metal dications, VL de Souza Santos, FA Ribeiro, CD Kim, A López-Castillo, Journal of Molecular Modeling 30 (11), 1-9, 2024.

Size-dependent effects of Cu° nanoparticles on electronic properties and ethanol dehydrogenation catalysis via Cu⁺-O-Cu⁺ species, TA Osmari, DD Petrolini, A Lopez-Castillo, LH de Morais, D Zanchet, ..., Materials Today Chemistry 41, 102318, 2024.

Exact Results for Bose–Einstein and Fermi–Dirac Statistics for Finite Generic Systems, A López-Castillo, Journal of Low Temperature Physics 216 (5), 698-721, 2024.

Fine-tuning the electronic properties of Au toward two-dimensional clusters with higher activity for ethanol conversion, JMR Gallo, TM Augusto, A López-Castillo, MC Ribeiro, TCR Rocha, ..., Journal of Catalysis 432, 115441, 2024.

Conversion of methane to methanol over Cu-MAZ (zeolite omega): An oxygen-free process using H2O and CO2 as oxidants, TCP Pereira, JVR Vieira, CHF da Cunha, SCM Mizuno, YO Carvalho, ..., Applied Catalysis B: Environmental 342, 123370, 2024.

On the Quasi-Separability of Atoms and Molecules, A López-Castillo, Foundations of Physics 54 (1), 2, 2024.

Electronic and structural behavior of graphene and azulphene nanoflakes under the influence of two-point charges, A López-Castillo, Diamond and Related Materials 139, 110301, 2023.

Processo para conversão direta de metano a metanol livre de oxigênio molecular em baixas temperaturas, JMC Bueno, TCP Pereira, JV Reis, SCM Mizuno, JBO Santos, JMR Gallo, ..., BR Patent BR10 2021 022316 2, 2023.

Hydrogen Atom Second Solution: Physical and Chemical Interpretations, E Flauzino, A López-Castillo, International Journal of Theoretical Physics 62 (4), 80, 2023.

Urea Decomposition Mechanism by Dinuclear Nickel Complexes, CO Martins, LK Sebastiany, A Lopez-Castillo, RS Freitas, LH Andrade, ..., Molecules 28, 1659, 2023.

Metal–organic frameworks as catalysts and biocatalysts for methane oxidation: The current state of the art, LS Andrade, HHLB Lima, CTP Silva, WLN Amorim, JGR Poço, ..., Coordination Chemistry Reviews 481, 215042, 2023.

Morphogenesis in synthetic chemical cells, L Silva-Dias, A Lopez-Castillo, The Journal of Physical Chemistry Letters 13 (1), 296-301, 2022.

Aprendendo a mecânica quântica, A Lopez-Castillo, E Flauzino, ISBN 9788576005407 https://edufscar.com.br/ebook-aprendendo-a-mecanica, 2022.

Chiral symmetry conservation principle, A López‐Castillo, Chirality 34 (1), 104-113, 2022.

On the chemical bond complexity of the H2+ in 1-D: The ground-state avoided crossing, A Lopez-Castillo, Computational and Theoretical Chemistry 1205, 113438, 2021.

The role of the diffusion process in bimolecular reactions with neighborhood, JC de Souza Filho, A López‐Castillo, International Journal of Chemical Kinetics 53 (4), 492-503, 2021.

Prediction of azulene-based nanographene-like materials, A Costa, A López-Castillo, Diamond and Related Materials 112, 108235, 2021.

Searching for distinct classes of atomic and molecular states using convergence and separability criteria, A Lopez-Castillo, Theoretical Chemistry Accounts 139 (9), 149, 2020.

Exploring the multifunctionality and accessibility of vanadosilicates to produce acrylic acid in one-pot glycerol oxydehydration, LH Vieira, A Lopez-Castillo, CW Jones, L Martins, Applied Catalysis A: General 602, 117687, 2020.

Exact intrinsic half angular momentum from the Schrödinger equation, A López-Castillo, Theoretical Chemistry Accounts 139 (3), 51, 2020.

Turing patterns modulation by chemical gradient in isothermal and non-isothermal conditions, L Silva-Dias, A Lopez-Castillo, Physical Chemistry Chemical Physics 22 (14), 7507-7515, 2020.

The Change in the Nature of the Chemical Bond through Hydrogen Tunneling Process in BN‐Ethylamine, A Lopez‐Castillo, NH Morgon, ChemistrySelect 4 (47), 13867-13875, 2019.

Effect of the Pt Precursor and Loading on the Structural Parameters and Catalytic Properties of Pt/Al2O3, LR Borges, A Lopez‐Castillo, DM Meira, JMR Gallo, D Zanchet, ...,ChemCatChem 11, 3064–3074, 2019.

PIRES, DIEGO A.T.; ARAKE, LUISA M.R.; SILVA, LUCIANO P.; LOPEZ-CASTILLO, ALEJANDRO; PRATES, MAURA V.; NASCIMENTO, CLAUDIA J.; BLOCH, CARLOS. A Previously Undescribed Hexapeptide His-Arg-Phe-Leu-Arg-His-NH 2 From Amphibian Skin Secretion shows CO 2 and Metal Biding Affinities. PEPTIDES, v.106, p.37 - 44, 2018.

PUPIM, CARINA F.; CATAO, A. J. L.; LÓPEZ-CASTILLO, A., Boron-nitrogen dative bond. JOURNAL OF MOLECULAR MODELING, v.24, p.283 - , 2018.

CATAO, A. J. L.; LOPEZ-CASTILLO, ALEJANDRO, On the Degradation Pathway of Glyphosate and Glycine. Environmental Science-Processes & Impacts, v.20, p.1148 - 1157, 2018.

COSTA, A.; López-Castillo, Alejandro, Polyazulenes and Polynaphthalenes: Prediction and Computational Study. ChemistrySelect. , v.3, p.11779 - 11790, 2018.

DIAS, L. S.; López-Castillo, Alejandro, Spontaneous symmetry breaking of population: Stochastic Lotka-Volterra model for competition among two similar preys and predators. MATHEMATICAL BIOSCIENCES, v.300, p.36 - 46, 2018.

CARVALHO, E. F.; LÓPEZ-CASTILLO, A.; ROBERTO-NETO, O., A comparative study of the structures and electronic properties of graphene fragments: A DFT and MP2 survey. CHEMICAL PHYSICS LETTERS, p.291 - 297, 2017.

CATAO, A. J. L.; López-Castillo, Alejandro,vStability and molecular properties of the boron-nitrogen alternating analogs of azulene and naphthalene: a computational study. Journal of Molecular Modeling (Print), v.23, p.119 - , 2017.

DIAS, LEONARDO SILVA; CASTILLO, ALEJANDRO LÓPEZ,vStochastic Chiral Symmetry Breaking Process Besides the Deterministic One. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, p.29424 - 29428, 2017.

CALDAS, PAULA C. P.; GALLO, JEAN MARCEL R.; LOPEZ-CASTILLO, ALEJANDRO; ZANCHET, DANIELA; CORREA BUENO, JOSE MARIA,The structure of the Cu-CuO sites determines the catalytic activity of Cu nanoparticles. ACS Catalysis, v.7, p.2419 - 2424, 2017.

SPERANÇA, MARCO AURÉLIO; DE AQUINO, FRANCISCO WENDEL BATISTA; FERNANDES, MARCELO ADORNA; LOPEZ-CASTILLO, ALEJANDRO; CARNEIRO, RENATO LAJARIM; PEREIRA-FILHO, EDENIR RODRIGUES, Application of Laser-Induced Breakdown Spectroscopy (LIBS) and Hyperspectral Images for Direct Evaluation of Chemical Elemental Profile of Coprolites. GEOSTANDARDS AND GEOANALYTICAL RESEARCH, v.41, p.273 - 282, 2016.

BOSCHETO, E.; DE SOUZA, M.; LÓPEZ-CASTILLO, A.,The Einstein specific heat model for finite systems. Physica. A (Print), v.451, p.592 - 600, 2016.

SILVA-DIAS, LEONARDO; López-Castillo, Alejandro,PRACTICAL STOCHASTIC MODEL FOR CHEMICAL KINETICS. Química Nova (Impresso), v.38, p.1232 - 1236, 2015.

BOSCHETO, EMERSON PAULINHO; López-Castillo, Alejandro, Spontaneous Chiral Symmetry Breaking for Finite Systems. ChemPhysChem (Print), v.16, p.3728 - 3735, 2015.

PUPIM, CARINA F.; MORGON, NELSON H.; LOPEZ-CASTILLO, ALEJANDRO, Spurious Phosphorus Pyramidalization Induced by Some DFT Functionals. Journal of the Brazilian Chemical Society (Impresso), v.26, p.1648 - 1655, 2015.

Nardin Favaro, Wellington and López-Castillo, Alejandro; Probing the (Empirical) Quantum Structure embedded in the Periodic Table with an effective Bohr Model. Química Nova (Impresso), v.36, p.335 - 339, 2013.

Lima, M.; Ribeiro, W.;  Xavier, S.; Claro, F and López-Castillo, Alejandro; The Numerical Connection between Map and its Differential Equation: Logistic and Other Systems. International Journal of Nonlinear Sciences and Numerical Simulation, v.14, p.77 - 85, 2013.

Homem, Manoel Gustavo Petrucelli; López-Castillo, Alejandro; Barbatti, Mario; Rosa, Lucio; Iza, Peter; Cavasso-Filho, Reinaldo Luiz; Farenzena, Lúcio Sartori; Mu-Tao, Lee; Iga, Ione; Experimental and the Theoretical investigations on photoabsorption and photoionization of trimethylphosphate in the vacuum-ultraviolet energy range. The Journal of Chemical Physics, v.137, p.184305 - , 2012.

López-Castillo; Alejandro, Prediction of boron-phosphorous nanographene-like material. International Journal of Quantum Chemistry, v.112, p.3152 - 3157, 2012.

Abreu, Leando de e López-Castillo, Alejandro; Sintonização de estados quânticos: Um estudo numérico do oscilador harmônico quântico. Química Nova (Impresso), v.35, p.1692 - 1695, 2012.

Abreu, Leando de and López-Castillo, Alejandro; Theoretical characterization of the BN and BP coronenes by IR, Raman, and UV-VIS spectra.The Journal of Chemical Physics, v.137, p.044309 - , 2012.

LÓPEZ-CASTILLO, A., Borin, Antonio Carlos; Solvatochromic shift of the pi --> pi* transition in all-trans, cis-13, cis-11, cis-9, and cis-7 retinal isomers induced by water and methanol. International Journal of Quantum Chemistry, p.2076 - 2087, 2010.

LÓPEZ-CASTILLO, A.; Semiclassical study of the one-dimensional hydrogen molecule. Chaos (Woodbury), v.18, p.033130-1 - 033130-8, 2008.

LÓPEZ-CASTILLO, A., J. Cândido de Souza Filho; Simulação do equilíbrio: o método de Monte Carlo. Química Nova (Impresso), v.30, p.1759 - 1762, 2007.

LÓPEZ-CASTILLO, A.; Two-Centre Regularization: One-Dimensional Restricted Four-Body Problem. Few-Body Systems, v.40, p.193 - 208, 2007.

LÓPEZ-CASTILLO, A., OLIVEIRA, C. R.;Dimensionalities of Weak Solutions in Hydrogenic Systems. Journal of Physics.A, Mathematical and General, v.39, p.3447 - 3454, 2006.

STUCHI, T. J., LÓPEZ-CASTILLO, A., ALMEIDA, M. A.;Nonintegrability of the three-body problems for the classical helium atom. Journal of Mathematical Physics, v.47, p.093506-1 - 093506-7, 2006.

LÓPEZ-CASTILLO, A., OLIVEIRA, C. R.; Classical Electronic Autoionization under Molecular Oscillations. Chaos, Solitons and Fractals, v.20, p.937 - 946, 2004.

LÓPEZ-CASTILLO, A.; Classical and Semiclassical Studies of the Hydrogen Molecule. Los Alamos., v.9 March, p.xx - , 2003.

LÓPEZ-CASTILLO, A., OLIVEIRA, C. R.; Classical Ionization for the Aperiodic Driven Hydrogen Atom. Chaos, Solitons and Fractals, v.15, p.859 - 869, 2003.

LÓPEZ-CASTILLO, A., STUCHI, T. J., ALMEIDA, M. A.;Non-integrability Proof of the Frozen Planetary Atom Configuration. Journal of Physics.A, Mathematical and General, v.36, p.4805 - 4814, 2003.

LÓPEZ-CASTILLO, A., OLIVEIRA, C. R.; Chaotic versus random ionization. Physical Review E - Statistical Physics, Plasmas, Fluids and Related Interdisciplinary Topics, v.63, p.047202-1 - 047202-3, 2001.

LÓPEZ-CASTILLO, A., OLIVEIRA, C. R.;Classical Stability of the Hydrogen Atom Ionization in Intense Driven Radial Electric Field. Journal of Physics.B, Atomic, Molecular and Optical Physics, v.32, p.2951 - 2961, 1999.

LÓPEZ-CASTILLO, A.; Nonlinear Dynamics of the Hydrogen Molecule. Physical Review. A, v.58, p.1846 - 1858, 1998.

LÓPEZ-CASTILLO, A., BECHIOR, J. C., BRAGA, J. P.;Quantum Charge Transfer Study of Triply Charged Ions in the Adiabatic Representation: the [BHe]3+ System. Journal Brazilian Chemical Society., v.9, p.449 - 454, 1998.

LÓPEZ-CASTILLO, A.; Galilean Invariance of the Schrödinger Equation in the Adiabatic Approximation: The Central Field Method. Physical Review. A, v.53, p.818 - 824, 1996.

LÓPEZ-CASTILLO, A.; Hydrogen molecule as a classical restricted four-body problem. Physical Review Letters, v.77, p.4516 - 4519, 1996.

LÓPEZ-CASTILLO, A., AGUIAR, M. A. M., OZORIO de ALMEIDA, A. M.; OntheOne-Dimensional Helium Atom. Journal of Physics.B, Atomic, Molecular and Optical Physics, v.29, p.197 - 206, 1996.

LÓPEZ-CASTILLO, A.; Possible Applications and Speculations on Evolution Theory According to the Dynamic System Theory. Anais da Academia Brasileira de Ciências, v.67, p.347 - 353, 1995.

LÓPEZ-CASTILLO, A., ORNELLAS, F. R.;Theoretical Charge-Exchange Cross-Sections Galilean Invariant for the B3+ + He Collisions. PhysicalReview. A, v.51, p.381 - 390, 1995.

LÓPEZ, A., ERREA, L. F., MENDES, L., RIERA, A.;Elastic, Inelastic and Charge Exchange Differential Cross Section in He+ + H Collisions. Journal of Physics.B, Atomic, Molecular and Optical Physics, v.25, p.811 - 824, 1992.