Jorge Rafael Leon-Carmona and Annia Galano “Uric and 1-Methyluric Acids: Metabolic Wastes or Antiradical Protectors? J. Phys. Chem. B 2011, 115 (51), 15430–15438. Abstract  PDF  HTML  Supporting Info

Annia Galano, J. Raúl Alvarez-Idaboy “Glutathione: mechanism and kinetics of its non-enzymatic defense action against free radicals” RSC Advances 2011, 1, 1763–1771. Abstract  PDF  HTML

Perla D. Maldonado, J. Raúl Alvarez-Idaboy, Adriana Aguilar-González, Alfonso Lira-Rocha, Helgi Jung-Cook, Omar Noel Medina-Campos, José Pedraza-Chaverrí, Annia Galano “Role of Allyl Group on the Hydroxyl and Peroxyl Radical Scavenging Activity of S-Allylcysteine” J. Phys. Chem. B. 2011, 115, 13408–13417. Abstract  PDF  HTML

Annia Galano, J. Raúl. Alvarez-Idaboy, Misaela Francisco-Márquez "Physicochemical Insights on the Free Radical Scavenging Activity of Sesamol: Importance of the Acid/Base Equilibrium" J. Phys. Chem. B. 2011, 115, 13101–13109. Abstract  PDF  HTML  Supporting Info

Ana Martínez, Annia Galano, Rubicelia Vargas “Free Radical Scavenger Properties of Alfa-mangostin: Thermodynamics and Kinetics of HAT and RAF Mechanisms” J. Phys. Chem. B. 2011, 115, 12591–12598. Abstract  PDF  HTML

Adriana Pérez-González, Annia Galano “Ionization energies, proton affinities, and pKas of a large series of Edaravone derivatives: implication for their free radical scavenging activity” J. Phys. Chem. B. 2011, 115, 10375–10384. Abstract  PDF  HTML  Supporting Info

Annia Galano, “Mechanism and kinetics of the hydroxyl and hydroperoxyl radical scavenging activity of N-acetylcysteine amide” Theor. Chem. Acc. 2011. 130, 51–60. Abstract  PDF  HTML  Supporting Info

Aida Mariana Rebollar-Zepeda, Tania Campos-Hernández, María Teresa Ramírez-Silva, Alberto Rojas-Hernández, Annia Galano “Searching for computational strategies to accurately predict pKas of large phenolic derivatives” J. Chem. Theory Comput. 2011, 7, 2528–2538. Abstract  PDF  HTML  Supporting Info

Enelio Torres-García, Annia Galano, Geonel Rodriguez-Gattorno “Oxidative desulfurization (ODS) of organosulfur compounds catalyzed by peroxo-metallate complexes of WOx-ZrO2: thermochemical, structural and reactivity indexes analyses” , J. Catal. 2011, 282, 201–208. Abstract  PDF

Annia Galano, Dun Xian Tan, Russel J. Reiter “Melatonin as a natural ally against oxidative stress: a physicochemical examination” J. Pineal Res. 2011, 51, 1-16.  Abstract  PDF  HTML

Annia Galano, Misaela Francisco-Márquez, Juan R. Alvarez-Idaboy. “Canolol: a promising chemical agent against oxidative stress” J. Phys. Chem. B 2011, 115, 8590–8596. Abstract  PDF  HTML  Supporting Info

Annia Galano, Misaela Francisco-Márquez, J. Raúl. Alvarez-Idaboy “Mechanism and kinetics studies on the antioxidant activity of sinapinic acid” Phys. Chem. Chem. Phys. 2011, 13 (23), 11199–11205. Abstract  PDF  HTML

Jorge Rafael León-Carmona, Annia Galano “Is caffeine a good scavenger of oxygenated free radicals?” J. Phys. Chem. B 2011, 115, 4538–4546.  Abstract  PDF  HTML

Annia Galano “On the direct scavenging activity of melatonin towards hydroxyl and a series of peroxyl radicals” Phys. Chem. Chem. Phys. 2011, 13, 7147–7157.  Abstract  PDF  HTML

Adriana Pérez-González, Annia Galano “OH Radical Scavenging Activity of Edaravone: Mechanism and Kinetics” J. Phys. Chem. B 2011, 115, 1306–1314.  Abstract  PDF  HTML  Supporting Info

Tessy Lopez, Anna Kozina, Karla Espinoza, Roberto Alexander-Katz, Annia Galano “The Role of Hydrolysis Degree in the Drug-Matrix Interactions of Nanosized Sol-Gel Titania Reservoirs for Epilepsy Treatment” J. Phys. Chem. C 2010, 114, 20022–20027. Abstract  PDF  HTML

Ana Martínez, Rubicelia Vargas, Annia Galano “Theoretical Study on the Chemical Fate of Adducts Formed through Free Radical Addition Reactions to Carotenoids” Theor. Chem. Acc. 2010, 127, 595-603. Abstract  PDF  HTML

Karla Sanpedro-Montoya, Beatriz Martínez-Pérez, Annia Galano, Enrique Angeles, Víctor H. Abrego, María Teresa Ramírez-Silva, Alberto Rojas-Hernández  “Deprotonation mechanism and logP values of new antihypertensive thiomorpholinylmethylphenols: A combined experimental and theoretical study” J Chem. & Engineering Data 2010, 55, 4323–4331. Abstract  PDF  HTML

Ana Martínez, Misaela Francisco-Marquez, Annia Galano  “Effect of Different Functional Groups on the Free Radical Scavenging Capability of Single-Walled Carbon Nanotubes” J. Phys. Chem. C 2010, 114, 14734–14739. Abstract  PDF  HTML  Supporting Info

Annia Galano, Juan R. Alvarez-Idaboy, Misaela Francisco-Marquez, “Mechanism and Branching Ratios of Hydroxy Ethers + •OH Gas Phase Reactions: Relevance of H Bond Interactions” J. Phys. Chem. A 2010, 114, 7525–7536.  Abstract  PDF  HTML  Supporting Info

Annia Galano, Norma A. Macías-Ruvalcaba, Omar Noel Medina Campos, José Pedraza-Chaverri “Mechanism of the OH Radical Scavenging Activity of Nordihydroguaiaretic Acid: A Combined Theoretical and Experimental Study” J. Phys. Chem. B 2010, 114, 6625–6635.   Abstract   PDF   HTML

Annia Galano, Marcela Narciso-Lopez, Misaela Francisco-Marquez “Water Complexes of Important Air Pollutants: Geometries, Complexation Energies, Concentrations, Infrared Spectra and Intrinsic Reactivity” J. Phys. Chem. A 2010, 114, 5796–5809. Abstract  PDF  HTML  Supporting Info

Ana Martinez, Annia Galano “Free Radical Scavenging Activity of Ultra Short Single Walled Carbon Nanotubes with Different Structures through Electron Transfer Reactions” J. Phys. Chem. C 2010, 114, 8184–8191. Abstract  PDF  HTML  Supporting Info

Annia Galano, Misaela Francisco-Marquez, Ana Martinez "Influence of Point Defects on the Free Radical Scavenging Capability of Single-Walled Carbon Nanotubes" J. Phys. Chem. C 2010, 114, 8302–8308.  Abstract  PDF  HTML

Misaela Francisco-Marquez, Annia Galano, Ana Martinez "On the Free Radical Scavenging Capability of Carboxylated Single-Walled Carbon Nanotubes" J. Phys. Chem. C 2010, 114, 6363–6370.  Abstract  PDF  HTML  Supporting Info

J. Raul Alvarez-Idaboy, Annia Galano “Counterpoise corrected interaction energies are not systematically better than uncorrected ones: Comparison with CCSD(T) CBS extrapolated values” Theor. Chem. Acc. 2010, 126, 75–85.  Abstract PDF  HTML

A. Galano “Carbon Nanotubes: Promising Agents against Free Radicals” Nanoscale 2010, 2(3), 373-380.  Abstract  PDF  HTML    Enhanced HTML

Annia Galano, Rubicelia Vargas, Ana Martínez “Carotenoids can act as antioxidants by oxidizing the superoxide radical anion” Phys. Chem. Chem. Phys. 2010, 12, 193–200 Abstract   PDF  HTML  Supporting Info

Annia Galano, Misaela Francisco-Márquez "Peroxyl-Radical-Scavenging Activity of Garlic: 2-propenesulfenic Acid vs. Allicin" J. Phys. Chem. B, 2009, 113, 16077–16081 Abstract Supporting Info PDF HTML

Claudia Zavala-Oseguera, Juan R. Alvarez-Idaboy, Gabriel Merino, Annia Galano “OH Radical Gas Phase Reactions with Aliphatic Ethers: A Variational Transition State Theory Study” J. Phys. Chem. A, 2009, 113, 13913-13920 Abstract Supporting Info PDF HTML

Annia Galano, J. Raúl Alvarez-Idaboy “Guanosine + OH radical reaction in aqueous solution: A reinterpretation of the UV-Vis data based on thermodynamic and kinetic calculations” Org. Lett. 2009, 11, 5114-5117. Abstract  Supporting Info  HTML  PDF

Annia Galano, “Influence of Diameter, Length, and Chirality of Single-Walled Carbon Nanotubes on their Free Radical Scavenging Capability”, J. Phys. Chem. C, 2009, 113, 18487–18491. Abstract  HTML  PDF

Geonel Rodriguez-Gattorno, Annia Galano, Enelio Torres-García “Surface acid-basic properties of WOx-ZrO2 and catalytic efficiency in oxidative desulfurization” Appl. Cat. B. 2009, 92, 1-8. Abstract  PDF

Annia Galano, Misaela Francisco-Márquez “Reactions of OOH Radical with β-Carotene, Lycopene and Torulene: Hydrogen Atom Transfer and Adduct Formation Mechanisms” J. Phys. Chem. B 2009, 113, 11338–11345. Abstract  Supporting Info  HTML  PDF

Annia Galano, Ruslán Álvarez-Diduk, M. Teresa Ramírez-Silva, Georgina Alarcón-Ángeles, Alberto Rojas-Hernández “Role of the Reacting Free Radicals on the Antioxidant Mechanism of Curcumin” Chem. Phys. 2009, 363, 13-23. Abstract  PDF

Claudia Zavala-Oseguera, Annia Galano “CBS-QB3 + VTST Study of methyl N-methylcarbamate + OH Gas Phase Reaction: Mechanism, Kinetics and Branching Ratios” J. Chem. Theory Comput. 2009, 5, 1295–1303. Abstract  Supporting Info  HTML  PDF

Ana Martínez, Rubicelia Vargas, Annia Galano “What is important to prevent oxidative stress? A theoretical study on Electron Transfer Reactions between carotenoids and free radicals” J. Phys. Chem. B 2009, 113, 12113–12120. Abstract  Supporting Info  HTML  PDF

J. Manuel Islas Martínez, Damaris Rodríguez-Barrientos, Annia Galano, Enrique Ángeles, Luis A. Torres, Fabiola Olvera, M. Teresa Ramírez-Silva, Alberto Rojas-Hernández “Deprotonation mechanism of new antihypertensive piperidinylmethylphenols: A combined experimental and theoretical study” J. Phys. Chem. B 2009, 113, 11765–11774. Abstract  HTML  PDF

Misaela Francisco-Marquez^, Annia Galano, "Role of the Sulfur Atom on the Reactivity of Methionine toward OH Radicals: Comparison with Norleucine" J. Phys. Chem. B 2009, 113, 4947-4952. Abstract  Supporting Info  HTML PDF

M. González, A. Galano, J. Rieumont, T. López, D. Dupeyron, L. Albaran, “Drug-Matrix interactions in nanoparticles containing acetyl salicylic acid using an enteric polymer as a coating” J. Phys. Chem. C 2008, 112, 20222–20226. Abstract  HTML  PDF

Annia Galano, Luis Gerardo Ruiz-Suárez, Annik Vivier-Bunge, “On the Mechanism of the OH Initiated Oxidation of Acetylene in the presence of O2 and NOx” Theoretical Chemistry Accounts 2008, 121, 219-225. Abstract  Free Preview  PDF

Annia Galano, Geonel Rodriguez-Gattorno, Enelio Torres-García “A Combined Theoretical-Experimental Study on the Acidity of WOx-ZrO2 Systems”, Phys. Chem. Chem. Phys. 2008, 10, 4181-4188. Abstract  HTML  PDF

Armando Cruz-Torres, Ascención Romero-Martínez, Annia Galano, "Computational Study on the Antifreeze Glycoproteins as Inhibitors of Clathrate-Hydrate Formation", Chem. Phys. Chem. 2008, 9, 1630-1635. Abstract  |   HTML   |  PDF

Victor Uc, Juan R. Alvarez-Idaboy, Annia Galano, Annik Vivier, "A theoretical explanation of non-exponential OH decay in reactions with Benzene and Toluene using pseudo-first order conditions" J. Phys. Chem. A 2008, 112, 7608–7615. Abstract Full: HTML  /  PDF

Annia Galano “Carbon Nanotubes as Free Radical Scavengers” J. Phys. Chem. C 2008, 112, 8922-8927. Abstract Full: HTML  /  PDF

Annia Galano, Misaela Francisco-Márquez “Reactivity of Silicon and Germanium doped CNTs toward aromatic sulfur compounds: A theoretical approach.” Chem. Phys. 2008, 345, 87-94.  Abstract / PDF

Cristina Iuga, Annia Galano, Annik Vivier-Bunge, “Theoretical Investigation of the OH Radical Initiated Oxidation of Benzaldehyde in the Troposphere” ChemPhysChem 2008, 9, 1453 – 1459. Abstract  |   HTML |  PDF

Misaela Francisco-Márquez, J. Raul Alvarez-Idaboy, Annia Galano, Annik Vivier-Bunge “Theoretical Determination of Arrhenius Parameters for the Butadiene and Isoprene Reactions with Mercapto Radicals” Chem. Phys. 2008, 344, 273-280. Abstract / PDF

Annia Galano, J. Raul Alvarez-Idaboy, “Branching Ratios of Aliphatic Amines + OH Gas Phase Reactions: A Variational Transition-State Theory Study”, J. Chem. Theory Comput. 2008, 4, 322-327. Abstract Full: HTML  /  PDF

Annia Galano, Armando Cruz-Torres “OH Radical Reactions with Phenylalanine in Free and Peptide Forms” Org. & Biomolec. Chemistry, 2008, 6, 732-738. Abstract  PDF

Annia Galano, Emilio Orgaz “Stability and electronic structure of Si, Ge and Ti substituted single walled carbon nanotubes” Phys. Rev. B. 77, 045111, 2008. Abstract PDF (743 kB)  

A. Galano, J. R. Alvarez-Idaboy "Atmospheric Reactions of Oxygenated Compounds + OH radicals: Role of Hydrogen-Bonded Intermediates and Transition States". Chapter 12 pag. 245-274. In Advances in Quantum Chemistry; 55. M. E. Goodsite and M. S. Johnson Editors "Applications of Quantum Chemistry to the Atmosphere" Elsevier Pub., Amsterdam (2008)

A. Galano “Relative Antioxidant Efficiency of a Large Series of Carotenoids: Electron Transfer Reactions” J. Phys. Chem.B 2007, 111, 12898-12908. Abstract Full: HTML  /  PDF (313k)

Pablo D. Astudilloa, Annia Galano, Felipe J. González “Radical grafting of carbon surfaces with alkylic groups by mediated oxidation of carboxylates” J. Electroanal. Chem. 2007, 610, 137-146. Abstract | Full Text + Links | PDF (1108 K)

A. Galano, J. Raúl Alvarez-Idaboy, Annik Vivier-Bunge, “Non-alkane behavior of cyclopropane and its derivatives: Characterization of unconventional hydrogen bond interactions” Theor. Chem. Acc. 2007, special issue in memoriam of Prof. Serafín Fraga, 118, 597–606 (invited paper) Abstract PDF (586 kb)  HTML

A. Cruz, A. Galano, "On the Mechanism of Gas Phase Reaction of C1-C3 Aliphatic Thiols + OH Radicals", J. Phys. Chem. A 2007, 111, 1523. Abstract, HTML, PDF, Supporting Information

A. Galano, “Influence of Silicon defects on the adsorption of thiophene on Polycyclic Aromatic Hydrocarbons: A theoretical study using Coronene as the simplest model.” J. Phys. Chem. A 2007, 111, 1677. Abstract, HTML,  PDF

 A. Galano, “On the mechanism of OH radical reactions with HCN and CH3CN: OH regeneration in the presence of O2”, J. Phys. Chem. A 2007, 111, 5086. Abstract, HTML,  PDF

A. Cruz-Torres, A. Galano, J. R. Alvarez-Idaboy, “Kinetics and Mechanism of b-Alanine + OH Gas Phase Reaction: A Quantum Mechanical Approach”, PhysChemCemPhys. 2006, 8, 285. Abstract, PDF, HTML  

A. Galano, A. Cruz-Torres, J. R. Alvarez-Idaboy, “Isopropylcyclopropane + OH gas phase reaction: A Quantum Chemistry + CVT/SCT Approach”, J. Phys. Chem. A 2006, 110, 1917. Abstract, HTML, PDF 

A. Galano, J. R. Alvarez-Idaboy, A. Vivier-Bunge, “Computational quantum chemistry, a reliable tool in the understanding of gas phase reactions” J. Chem. Ed. 2006, 83, 481. Abstract,  Full text

A. Galano, J. R. Alvarez-Idaboy, “A new approach to Counterpoise correction to BSSE”, J. Comput. Chem. 2006, 27, 1203-1210. Abstract, HTML, PDF

A. Galano, “Theoretical study on the reaction of tropospheric interest: hydroxyacetone + OH. Mechanism and Kinetics”, J. Phys. Chem. A. 2006, 110; 9153. Abstract, HTML,  PDF

A. Galano, “On the influence of diameter and length on the properties of armchair Single-Walled Carbon Nanotubes: A theoretical chemistry approach”,  Chem. Phys. 2006, 327, 159 Abstract, PDF

Uc, V. H.; Alvarez-Idaboy, J. R.; Galano, A.; Garcia-Cruz, I.; Vivier-Bunge, A. "Theoretical Determination of the Rate Constant for OH Hydrogen Abstraction from Toluene".  J. Phys. Chem. A 2006, 110, 10155. Abstract, HTML,  PDF, Supporting Information

G. Bravo-Pérez, J. R. Alvarez-Idaboy, A. Galano, A. Cruz-Torres, “Quantum Chemical and Conventional TST Calculations of Rate Constants for the OH + Alkane Reaction” Chemical Physics.2005, 310, 213.  Abstract, PDF 

A. Galano, J. R. Alvarez-Idaboy “Ab initio Study of b-Alanine Conformers in Gas Phase” ARKIVOC, Issue in Honor of Prof. Eusebio Juaristi, 2005, vi, 7.  Full Paper 

Martín A. Iglesias-Arteaga, Gustavo A. Velázquez-Huerta, José M. Méndez-Stivalet, Annia Galano, J. Raúl Alvarez-Idaboy, “The Baeyer-Villiger reaction of 23-oxosapogenins” ARKIVOC, Issue in Honor of Prof. Eusebio Juaristi, 2005, vi, 109.  Full Paper 

Z. Y. Zhoua, A. F. Jalbout, A. Galano, M. Solimannejad and H. Abou-Rachid, “The FC(O)OF torsional potential: thermochemistry and kinetics” J. Molec. Structure 2005, 737, 83. Abstract, HTML, PDF 

M. Francisco-Márquez, J. R. Alvarez-Idaboy, A. Galano, A. Vivier-Bunge, “A Possible Mechanism for Furan Formation in the Tropospheric Oxidation of Dienes”, Env. Sci. Technol. 2005, 39, 8797. Abstract, HTML, PDF, Supporting Information 

M. Francisco-Márquez, J. R. Alvarez-Idaboy, A. Galano, Annik Vivier-Bunge, “On the Role of s-cis Conformers in the Reaction of Dienes with OH Radicals”,  Phys. Chem. Chem. Phys. 2004, 6, 2237. Abstract, PDF, HTML

J. R. Alvarez-Idaboy, A. Cruz-Torres, A. Galano, Ma. E. Ruiz-Santoyo, “Structure-Reactivity Relationship in Ketones + OH Reactions: A Quantum Mechanical and TST Approach”, J. Phys. Chem. A. 2004, 108, 2740. Abstract, HTML, PDF 

A. Galano, J. R. Alvarez-Idaboy, E. Agacino-Valdés, Ma. E. Ruiz-Santoyo, “Quantum Mechanical Approach to Isoleucine + OH Gas Phase Reaction. Mechanism and Kinetics”, J. Mol. Struct. (Theochem) 2004, 676, 97. Abstract, HTML, PDF

A. F. Jalbout, C. M. Chang, A. Galano, M. Solimannejad. “Rate coefficient and mechanism of the gas phase OPSCN -> OPNCS isomerization: a density functional theory study”, J. Mol. Struct. (Theochem) 2004, 676, 127. Abstract, HTML, PDF 

R. Cartas-Rosado, J. R. Alvarez-Idaboy, A. Galano, A. Vivier-Bunge, “A theoretical Investigation of the Mechanism of the NO3 Addition to Alkenes”, J. Mol. Struct. (Theochem) 2004, 684, 51. Abstract, HTML, PDF  

A. Galano, J. R. Alvarez-Idaboy, M. E. Ruiz-Santoyo, A. Vivier-Bunge, “Mechanism and kinetics of the reaction of OH radicals with glyoxal and methylglyoxal: A Quantum Chemistry + CVT/SCT approach”. ChemPhysChem. 2004, 5, 1379. Abstract, HTML, PDF 

A., Galano, J. R. Alvarez-Idaboy, E. Agacino-Valdes, M. E. Ruiz-Santoyo, “Quantum mechanical approach to Leucine + OH gas phase reaction. Mechanism and kinetics” Rev. Soc. Mex. Quim.  2004, 48, 139. Full Paper 

A. Galano, J. R. Alvarez-Idaboy, Ma. E. Ruiz-Santoyo, A. Vivier-Bunge, “Glycolaldehide + OH gas phase reaction: A Quantum Chemistry + CVT/SCT Approach”, J. Phys. Chem. A 2004. 109, 169. Abstract, HTML, PDF 

M. Francisco-Marquez, J. R. Alvarez-Idaboy, A Galano, A. Vivier-Bunge, “Theoretical Study of the Initial Reaction between OH and Isoprene”, Phys. Chem. Chem. Phys. 2003, 5, 1392. Abstract, PDF, HTML

A. Galano, J. R. Alvarez-Idaboy, A. Cruz-Torres, M. E. Ruiz-Santoyo, “Kinetics and Mechanism of the Gas Phase OH Hydrogen abstraction Reaction from Methionine: A Quantum Mechanical Approach”. Int. J. Chem. Kinet. 2003, 35, 212. Abstract, HTML, PDF 

A. Galano, J. R. Alvarez-Idaboy, A. Cruz-Torres, Ma. Esther Ruiz-Santoyo, “Rate coefficients and mechanism of the gas phase OH hydrogen abstraction reaction from serine: a quantum mechanical approach”, J. Mol. Struct. (Theochem) 2003, 629, 165. Abstract, HTML, PDF 

A. Galano, J. R. Alvarez-Idaboy, G. Bravo-Perez, Ma. E. Ruiz-Santoyo, “Gas Phase Reactions of C1-C4 Alcohols with the OH radical: A Quantum Mechanical Approach”. Phys. Chem. Chem. Phys. 2002, 4, 4648. Abstract, PDF, HTML

A. Galano, J. R. Alvarez-Idaboy, M. E. Ruiz-Santoyo, A. Vivier-Bunge, “Rate Coefficient and Mechanism of the Gas Phase OH Hydrogen Abstraction Reaction from Formic Acid”, J. Phys. Chem. A 2002, 106, 9520. Abstract, HTML, PDF 

A. Galano, J. R. Alvarez-Idaboy, G. Bravo-Perez, Ma. E. Ruiz-Santoyo, “Mechanism and Rate Coefficients of the Gas Phase OH Hydrogen Abstraction Reaction from Asparagine: A Quantum Mechanical Approach”, J. Mol. Struct. (Theochem) 2002, 617, 77. Abstract, HTML, PDF 

A. Galano Jiménez, L. A. Montero Cabrera, R. Álvarez Idaboy, Addis Londaitsbehere Trujillo, J. C. García Piñeiro, “Un Modelo Computacional de Reacciones Relacionadas con el Mal de Alzheimer en el Nivel Molecular” Rev. Cubana Invest. Biomed. 2002, 21, 54. Abstract , text (spanish) , pdf (spanish) 

A. Galano, J. R. Alvarez-Idaboy, L A. Montero, A. Vivier-Bunge, “OH Hydrogen Abstraction Reactions from Alanine and Glycine:A Quantum Mechanical Approach”. J. Comput. Chem. 2001, 22, 1138. Abstract, HTML, PDF 

J. R. Alvarez-Idaboy, A. Galano, G. Bravo-Pérez, Ma. Esther Ruiz-Santoyo, “Rate Constants Dependence on the Size of Aldehydes in the NO3 + Aldehydes Reaction. An explanation via Quantum Chemical Calculations and CTST”.  J. Am. Chem. Soc. 2001, 123, 8387. Abstract, HTML, PDF 

P. Frenández-Serra, V. Botella, Y. G. Smeyers, A. Galano, G. Delgado-Barrio “Ground State and some excited states of Li2 by half-projected Hartree-Fock method”, Int. J. Quantum Chem. 1995, 54, 305. Abstract, PDF 

G. Delgado-Barrio, A. Galano, P. Fernández-Serra, Y. G. Smeyers “Spectroscopic Study of diatoms by using HPHF model: aplication to the ground state of the hydrogen flouride molecule”, Anales de Física 1994, 90, 152.

P. Fernández-Serra, Y. G. Smeyers, A. Galano, G. Delgado-Barrio “A spectroscopic study of ground state of Litium hydride with HPHF model”. J. Molec. Struct. (Teochem) 1993, 287, 107. Abstract, PDF 

J.R. Alvarez-Idaboy, A. Galano, L.A. Montero, R. Martínez, “Theoretical Approach to Cationic Polymerization of Alkenylfurans. II. Ab initio and Semiempirical Study of Relevant Steps in the Reaction Mechanism”, J. Polym. Science, Part A: Polymer Chemistry 1992, 30, 2497. Abstract, PDF