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Ficha personal - Antonio Marcial Márquez Cruz


Antonio Marcial Márquez Cruz
Telefono: 954557175-77 (ext.213)
Email: Solicitar correo

Grupo de Investigación: Química Teórica
Departamento/Unidad: Química Física
Situación profesional: Profesor Titular de Universidad

Participa en los siguientes proyectos/ayudas en la US:

  • Proyectos:
    • Simulación de Catalizadores: Nanopartículas de Metales y Óxidos Metálicos Depositadas en un Soporte: Estructura, Propiedades Electrónicas y Actividad Catalítica. (MAT2012-31526 - Investigador)
    • Celdas Solares con Sensibilizador: Propiedades Electrónicas de Nanoestructuras de Sulfuros Metálicos Utilizados Como Captores de Energía (Qdsc). (P12-FQM-1595 - Investigador)
    • Simulación de catalizadores, reactividad de superficies de TiO2 y SnO2 dopadas con C, N y Sb, interfases metal/soporte, y propiedades electrónicas de sistemas de tipo colorante/soporte (MAT2008-04918 - Investigador)
    • Celdas Solares con Sensibilizador: Simulación de la Estructura de la Interfase Electrolito/Semiconductor (P08-FQM-03661 - Investigador)
    • Celdas solares con sensibilizador: simulación de la actividad del colorante en el proceso de captación de energía (EXC/2005/FQM-1126 - Investigador)
    • Simulación de catalizadores: metales soportados en óxidos de aluminio, titanio y cerio (MAT2005-01872 - Investigador)
    • Simulación de catalizadores: estructura y reactividad de metales soportados sobre óxidos y nitruros metálicos (MAT2002-00576 - Investigador)

  • Contratos Arts. 68/83 LOU:
    • Estudio computacional de la interacción entre un material silíceo y dos fluidos inmiscibles. (2264/0638 - Investigador)
    • Aplicación de Química computacional a Procesos catalíticos de Epoxidación. (1735/0638 - Investigador)

  • Ayudas:
    • Incentivo al Grupo de Investigación FQM-132 (2011/FQM-132 - Investigador)
    • Incentivo al Grupo de Investigación FQM-132 (2010/FQM-132 - Investigador)
    • Ayuda a la Consolidación del Grupo de Investigación FQM-132 (2009/FQM-132 - Investigador)
    • Ayuda a la Consolidación del Grupo de Investigación FQM-132 (2008/FQM-132 - Investigador)
    • Ayuda a la Consolidación del Grupo de Investigación FQM-132 (2007/FQM-132 - Investigador)
    • Ayuda a la Consolidación del Grupo de Investigación FQM-132 (2006/FQM-132 - Investigador)
    • Ayuda a la Consolidación del Grupo de Investigación FQM-132 (2005/FQM-132 - Investigador)

Cobertura de la base de datos de proyectos, véase aqui


Publicaciones:

Capítulos en Libros
Dupuis, Michel, Márquez Cruz, Antonio M.:
Weak Overlap and Spin Recoupling: Application of the Cas Scf Method. Pag. 197-214. En: Recent Advances in Multireference Methods. River Edge, EE.UU. World Scientific Publishing Company. 1999. ISBN 981-02-3777-4

Márquez Cruz, Antonio M., Oviedo López, Jaime, Fernández Sanz, Javier:
Distributed Computing in Quantum Chemistry:Parallel Computation of the Second Derivatives of the RHF Energy on Distributed Memory Computers. Pag. 191-196. En: Europvm'95. París, Francia. Editions Hermès. 1995

Dupuis, Michel, Chin, Steve, Márquez Cruz, Antonio M.:
Modern Tools for Including Electron Correlation in Electronic Structure Studies: Hondo and Chem-Station. Pag. 315-338. En: Relativistic and Electron Correlation Effects in Molecules and Solids. Nueva York, EE.UU. Plenum Press. 1994

Fernández Sanz, Javier, Lüthi, H.P., Márquez Cruz, Antonio M., Sierra Macia,Maite:
Parallel Distributed Computing in Quantum Chemistry. Pag. 1-11. En: Ecuc93. Zamudio, España. 1993. ISBN 84-88734-01-8

Dupuis, Michel, Márquez Cruz, Antonio M.:
Molecular Orbital Studies of Electric Field-Controlled Electron Transfer. Pag. 3-10. En: Molecular Electronics Science and Technology. Nueva York, EE.UU. Aip. 1992

Publicaciones en Revistas
Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fernández Sanz, Javier:
Understanding the Interplay of Dopants, Interfaces, and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures. 2014. Vol. 26. Núm. 11. Pag. 3385-3390

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surface. En: Theoretical Chemistry accounts (Print). 2013. Vol. 132

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fernández Sanz, Javier:
Electron Mobility via Polaron Hopping in Bulk Ceria: A First-Principles Study. En: Journal of the Physical Chemistry C. 2013. Vol. 117. Núm. 28. Pag. 14502-14509

Zayed, Ala' Omar Hasan, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Nanosized CoO films on the alpha-Al2O3 (0001) surface. A density functional study. En: Journal of the Physical Chemistry C. 2013. Vol. 117. Núm. 44. Pag. 22714-22722

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Transport porperties in CeO2 (111) Surface: Form Charge Distribution to Ion-Electron Collaborative Migration. En: Journal of the Physical Chemistry C. 2013. Vol. 117. Núm. 48. Pag. 25497-25503

Plata Ramos, José Javier, Ruiz-Tagle Gutiérrez, Igor Alberto, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Ceria(100) Nanotubes with Negative Strain Energy: A First-Principles Prediction. En: Journal of Physical Chemistry Letters. 2012. Vol. 3

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fernández Sanz, Javier, Kubacka, Anna, et. al.:
Making Photo-selective TiO2 Materials by Cation-Anion Codoping: From Strucutre and Electronic Properties to Photoactivity. En: The Journal of Physical Chemistry C. 2012. Vol. 116. Núm. 35. Pag. 18759-18767

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons. En: Journal of chemical physics. 2012. Vol. 136. Núm. 4. Pag. 041101-041105

Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Cruz Hernández, Norge, et. al.:
Comparative Study on the Performance of Hybrid DFT Functionals in Highly Correlated Oxides: the Case of Ceo2 and Ce2o3. En: Journal of chemical theory and computation. 2011. Vol. 7. Pag. 56-65

Plata Ramos, José Javier, Collico, Veronica, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Understanding Acetaldehyde Thermal Chemistry on the Tio2 (110) Rutile Surface: From Adsorption to Reactivity. En: Journal of physical chemistry. C. 2011. Vol. 115. Pag. 2819-2825

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fernández Sanz, Javier:
Structural Defects in W-Doped Tio2 (101) Anatase Surface: Density Functional Study. En: Journal of physical chemistry. C. 2011. Vol. 115. Núm. 34. Pag. 16970-16976

Sanchez de Armas, Mª del Rocío, San Miguel Barrera, Miguel Angel, Oviedo López, Jaime, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Electronic Structure and Optical Spectra of Catechol on Tio2 Nanoparticles From Real Time Td-DFT Simulationsw. En: PCCP. Physical chemistry chemical physics (Print). 2011. Vol. 13. Núm. 4. Pag. 1506-1514

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier, Sánchez Avellaneda, Rafael, Dominguez Leal, Maria Isabel, et. al.:
Gold Nanoparticles on Yttrium Modified Titania: Support Properties and Catalytic Activity. En: Topics in Catalysis. 2011. Vol. 54. Pag. 219-228

Márquez Cruz, Antonio M., Graciani Alonso, Jesus, Fernández Sanz, Javier:
Charge State of Metal Atoms on Oxide Supports: a Systematic Study Based on Simulated Infrared Spectroscopy and Density Functional Theory. En: Theoretical Chemistry accounts (Print). 2010. Vol. 126. Pag. 265-273

Graciani Alonso, Jesus, Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
A Density Functional Study of Initial Steps in the Oxidation of Early Transition Metal Nitrides, Mn (M = SC, Ti, and V). En: Journal of physical chemistry. C. 2009. Vol. 113. Núm. 3. Pag. 930-938

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on Tio2 (110). a Density Functional Study. En: Journal of physical chemistry. C. 2009. Vol. 113. Núm. 46. Pag. 19973-19980

Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Adsorption of PD Atoms and Dimers on the Tio2 (110) Surface: a First Principles Study. En: Journal of physical chemistry. C. 2007. Vol. 111. Núm. 10. Pag. 3949-3955

Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Structure and Dynamics of Methyl-Substituted Beryllocene: [be(C5me5)(2)]. En: Theoretical Chemistry accounts (Print). 2006. Vol. 116. Núm. 4-5. Pag. 480-485

Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Role of Vacancies in the Structural Stability of Alpha-Tio: a First-Principles Study Based on Density-Functional Calculations. En: Physical review. B, Condensed matter. 2005. Vol. 72. Núm. 5. Pag. 1-6

Cruz Hernández, Norge, Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
CU, Ag and Au Atoms Deposited on the [alpha]-Al2o3(0 0 0 1) Surface: a Comparative Density Functional Study. En: Surface science. 2005. Vol. 575. Núm. 1-2. Pag. 189-196

Piquemal, Jean Philip, Márquez Cruz, Antonio M., Parisel, Olivier, Giessner Prettre, Claude:
A Csov Study of the Difference Between HF and DFT Intermolecular Interaction Energy Values: the Importance of the Charge Transfer Contribution. En: Journal of computational chemistry. 2005. Vol. 26. Núm. 10. Pag. 1052-1062

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Adsorption of PD Atoms on Gamma-Al2o3: a Density Functional Study of Metal-Support Interactions. En: Applied surface science. 2004. Vol. 238. Núm. 1-4. Pag. 82-85

Cruz Hernández, Norge, Márquez Cruz, Antonio M., Fernández Sanz, Javier, Gomes, J.R.B., Illas, Francesc:
Density Functional Theory Study of CO, Rh, and IR Atoms Deposited on the Alpha-Al2o3(0001) Surface. En: Journal of Physical Chemistry B. 2004. Vol. 108. Núm. 40. Pag. 15671-15678

Espinosa García,Joaquín, Márquez Cruz, Antonio M.:
Theoretical Study of the [clhcl] Pre-Reactive Complex. En: Chemical physics letters (Print). 2003. Vol. 377. Núm. 5-6. Pag. 613-619

Espinosa García,Joaquín, Márquez Cruz, Antonio M., Dóbé, Sándor:
Theoretical Enthalpy of Formation of the Acetonyl Radical. En: Chemical physics letters (Print). 2003. Vol. 373. Núm. 3-4. Pag. 350-356

Conejo Argandoña, Mª del Mar, Fernández Lainez, Rafael, Rio Díaz-Jara, Diego del, Carmona Guzmán, Ernesto, Monge, Angeles, et. al.:
Synthesis, Solid-State Structure, and Bonding Analysis of the Beryllocenes [be(C5me4h)(2)], [be(Be5c5me5)(2)], and [be(C5me5)(C5me4h)]. En: Chemistry (Weinheim. Print). 2003. Vol. 9. Núm. 18. Pag. 4452-4461

Ledecq, Marie, Lebon, Florence, Durant, Francois, Giessner Prettre, Claude, Márquez Cruz, Antonio M., et. al.:
Modeling of Copper(II) Complexes With the Sibfa Polarizable Molecular Mechanics Procedure. Application to a New Class of HIV-1 Protease Inhibitors. En: Journal of Physical Chemistry B. 2003. Vol. 107. Pag. 10640-10652

Janusz, Rak, Voityuk, Alexander A., Márquez Cruz, Antonio M., Rösch, Notker:
The Effect of Pyrimidine Bases on the Hole-Transfer Coupling in DNA. En: Journal of Physical Chemistry B. 2002. Vol. 106. Núm. 32. Pag. 7919-7926

Gomes, J.R.B., Illas, Francesc, Cruz Hernández, Norge, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Interaction of PD With Alpha-Al2o3(0001): a Case Study of Modeling the Metal-Oxide Interface on Complex Substrates. En: Physical review. B, Condensed matter. 2002. Vol. 65. Núm. 12

Márquez Cruz, Antonio M.:
Incorporation of Nitrogen Into Alpon and Mixed Malpon(M=ga, in, TL): Effects on Structure and Thermal Stability. En: Materials science forum. 2002. Vol. 383. Pag. 97-104

Dupuis, Michel, Márquez Cruz, Antonio M.:
The Rys Quadrature Revisited: a Novel Formulation for the Efficient Computation of Electron Repulsion Integrals Over Gaussian Functions. En: The Journal of chemical physics. 2001. Vol. 114. Núm. 5. Pag. 2067-2078

Fernández Sanz, Javier, Jiménez Calzado, Mª Carmen, Márquez Cruz, Antonio M.:
DFT Versus CI Determination of the Electron-Transfer Matrix Element in Some Case Examples. En: International journal of quantum chemistry. 2000. Vol. 76. Núm. 3. Pag. 458-463

Fernández Sanz, Javier, Cruz Hernández, Norge, Márquez Cruz, Antonio M.:
A First Principles Study of PD Deposition on the Tio2(110) Surface. En: Theoretical Chemistry accounts (Print). 2000. Vol. 104. Núm. 3-4. Pag. 317-322

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Odriozola Gordon, José Antonio:
Theoretical Investigations of NMR Chemical Shieldings on the Alpon Catalyst System. En: Journal of non-crystalline solids. 2000. Vol. 263-264. Pag. 189-194

Benitez Jimenez, Jose Jesus, Oviedo López, Jaime, Márquez Cruz, Antonio M., Fernández Sanz, Javier, Odriozola Gordon, José Antonio:
Meeting-Abstract: AB Initio and Experimental Studies on the Structure of Amorphous Aluminosphosphate Oxynitrides (Alpon). En: Materials science forum. 2000. Núm. 325-326. Pag. 313-318

Fressigné, Catherine, Maddaluno, Jacques, Márquez Cruz, Antonio M., Giessner Prettre, Claude:
A DFT Theoretical Analysis of Aldehyde Condensation Pathways Onto Methyllithium, Lithium Dimethylamide, and Their Aggregates. En: Journal of organic chemistry. 2000. Vol. 65. Núm. 26. Pag. 8899-8907

Bredow, T., Márquez Cruz, Antonio M., Pacchioni, Gianfranco:
Analysis of Electronic Contributions to the Vibrational Frequency of CO/Cu2o(111). En: Surface science. 1999. Vol. 430. Núm. 1-3. Pag. 137-145

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Benitez Jimenez, Jose Jesus, Centeno Gallego, Miguel Angel, Odriozola Gordon, José Antonio:
The Short-Range Structure of Aluminophosphate Oxynitride Catalysts. an AB Initio and Experimental Study. En: Journal of Physical Chemistry B. 1999. Vol. 103. Núm. 49. Pag. 10850-10857

Márquez Cruz, Antonio M., Lopez, Nuria, García Hernández,Maite, Illas, Francesc:
Similarities and Differences in the Hartree-Fock and Density- Functional Description of the Chemisorption Bond. En: Surface science. 1999. Vol. 442. Núm. 3. Pag. 463-476

Fernández Sanz, Javier, Oviedo López, Jaime, Márquez Cruz, Antonio M., Odriozola Gordon, José Antonio, Montes Ramirez, Mario:
Adsorption of Acetone Onto Mgo: Experimental and Theoretical Evidence for the Presence of a Surface Enolate. En: Angewandte Chemie (International ed. Print). 1999. Vol. 38. Núm. 4. Pag. 506-509

Pacchioni, Gianfranco, Ierano, Gianluigi, Márquez Cruz, Antonio M.:
Optical Absorption and Nonradiative Decay Mechanism of e ' Center in Silica. En: Physical review letters (Print). 1998. Vol. 81. Núm. 2. Pag. 377-380

Fernández Sanz, Javier, Rabaa, H, Poveda, Flor Marina, Márquez Cruz, Antonio M., Jiménez Calzado, Mª Carmen:
Meeting-Abstract: Theoretical Models for Gamma -al/Sub 2/o/Sub 3/ (110) Surface Hydroxylation: an AB Initio Embedded Cluster Study. En: International journal of quantum chemistry. 1998. Vol. 70. Núm. 2. Pag. 359-365

Illas, Francesc, Zurita, Silvia, Márquez Cruz, Antonio M., Rubio, Jaime:
On the Bonding Mechanism of CO to Pt(111) and Its Effect on the Vibrational Frequency of Chemisorbed CO. En: Surface science. 1997. Vol. 376. Núm. 1-3. Pag. 279-296

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Structure of a Mononuclear Rhenium Catalyst Supported on Mgo: an AB Initio Study. En: Journal of molecular catalysis. A, Chemical (Print). 1997. Vol. 119. Núm. 1-3. Pag. 195-200

Márquez Cruz, Antonio M., Oviedo López, Jaime, Fernández Sanz, Javier, Benitez Jimenez, Jose Jesus, Odriozola Gordon, José Antonio:
Geometric and Electronic Structure of Amorphous Aluminophosphates. AB Initio and Experimental Studies. En: Journal of Physical Chemistry B. 1997. Vol. 101. Núm. 46. Pag. 9510-9516

Pacchioni, Gianfranco, Ferrari, Anna Maria, Márquez Cruz, Antonio M., Illas, Francesc:
Importance of Madelung Potential in Quantum Chemical Modeling of Ionic Surfaces. En: Journal of computational chemistry. 1997. Vol. 18. Núm. 5. Pag. 617-628

Oviedo López, Jaime, Jiménez Calzado, Mª Carmen, San Miguel Barrera, Miguel Angel, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
An AB Initio Study of the Ch2o Adsorption on the Mgo (100) Surface. Effects of Replacing the Active Mg2+ Ion by Different Metallic Cations. En: Journal of molecular structure (Print). 1997. Vol. 390. Núm. 1-3. Pag. 177-181

Márquez Cruz, Antonio M., Oviedo López, Jaime, Fernández Sanz, Javier, Dupuis, Michel:
Parallel Computation of Second Derivatives of RHF Energy on Distributed Memory Computers. En: Journal of computational chemistry. 1997. Vol. 18. Núm. 2. Pag. 159-168

San Miguel Barrera, Miguel Angel, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
A Theoretical Study of Znch2 and Znsnh2 Electronic Structure and the Znch2-Hznch Photolytic Rearrangement. En: Journal of the American Chemical Society (Print). 1996. Vol. 118. Núm. 2. Pag. 429-436

San Miguel Barrera, Miguel Angel, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Molecular and Electronic Structure of Zinc Carbyne, Hznch, and Zinc Stannyne, Hznsnh, From AB Initio Calculations. En: Journal of physical chemistry (1952). 1996. Vol. 100. Núm. 5. Pag. 1600-1604

Espinosa García,Joaquín, Corchado, José Carlos, Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Theoretical Values of the Enthalpies of Formation of the Nhx (X=1, 2, 3) Compounds - Importance of the Core-Correlation Effects. En: Chemical physics letters (Print). 1995. Vol. 233. Núm. 3. Pag. 220-226

Capitan Aranda, Maria Jose, Centeno Gallego, Miguel Angel, Malet Maenner, Maria del Pilar, Carrizosa Esquivel, Ignacio, Odriozola Gordon, José Antonio, et. al.:
Drifts, XPS, XAS, and AB-Initio Study of Lanthanide Oxides Supported on Gamma-Al2o3. En: Journal of physical chemistry (1952). 1995. Vol. 99. Núm. 13. Pag. 4655-4660

Illas, Francesc, Zurita, Silvia, Rubio, Jaime, Márquez Cruz, Antonio M.:
Origin of the Vibrational Shift of CO Chemisorbed to Pt(111). En: Physical review. B, Condensed matter. 1995. Vol. 52. Núm. 16. Pag. 12372-12379

Sierra del Pino,Rafael, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Pente (Unix). En: QCPE bulletin. 1995. Vol. 15. Núm. 4. Pag. 80-80

Márquez Cruz, Antonio M., Anguiano Cristobal, Julio, González González, Antonio Gustavo, Fernández Sanz, Javier:
A Theoretical Approach to the Molecular Structure of Vinylstannane and Some Structural Isomers. En: Journal of organometallic chemistry (Print). 1995. Vol. 486. Pag. 45-50

Mejias Romero, Jose Antonio, Márquez Cruz, Antonio M., Fernández Sanz, Javier, Fernández García,M, Ricart, Josep Manel, et. al.:
On Modeling the Interaction of CO on the Mgo(100) Surface. En: Surface science. 1995. Vol. 327. Núm. 1-2. Pag. 59-73

Capitan Aranda, Maria Jose, Odriozola Gordon, José Antonio, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
AB-Initio Scf-MO Study of the Chemisorption of Methane on al and la Oxide Surfaces. En: Journal of catalysis (Print). 1995. Vol. 156. Núm. 2. Pag. 273-278

Márquez Cruz, Antonio M., Dupuis, Michel:
Parallel Computation of the Mp2 Energy on Distributed-Memory Computers. En: Journal of computational chemistry. 1995. Vol. 16. Núm. 4. Pag. 395-404

Gao, y, Frost Jensen, A., Pressprich, M.R., Coppens, P., Márquez Cruz, Antonio M., et. al.:
Valence Contrast by Synchroton Resonance Scattering: Application to a Mixed-Valence Manganese Compound. En: Journal of the American Chemical Society (Print). 1992. Vol. 114. Pag. 9214-9215

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
AB Initio Casscf Study of the Electronic Structure of the Transition-Meta Alkylidene-Like Complexes MO-M H2 (M =c, Si, Ge, and Sn). En: Journal of the American Chemical Society (Print). 1992. Vol. 114. Núm. 25. Pag. 10019-10024

Márquez Cruz, Antonio M., Anguiano Cristobal, Julio, Fernández Sanz, Javier:
A Theoretical Approach to the Molecular Structure and Vibrational Spectrum of the Alc2h4 Complex From Casscf and Uhf Second-Order Perturbation Calculations. En: Journal of physical chemistry (1952). 1992. Vol. 96. Pag. 2115-2118

González González, Antonio Gustavo, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
An Iterative Algorithm for Consistent and Unbiased Estimation of Linear Regression Parameters When There Are Errors in Both the X and y Variables. En: Computers & chemistry. 1992. Vol. 16. Núm. 1. Pag. 25-27

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Gelizé, Michel, Dargelos, Alain:
The Vacuum Ultraviolet Spectrum of [mn2(CO)10]. En: Journal of organometallic chemistry (Print). 1992. Vol. 434. Pag. 235-240

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Electronic Structure of the Transition-Metal-Carbene-Like Complexes (CO)5mo-M'h2 (M'=c, Si, Ge, and Sn). a Theoretical Study Based on AB Initio Casscf Calculations. En: Journal of the American Chemical Society (Print). 1992. Vol. 114. Pag. 2903-2909

Márquez Cruz, Antonio M., Daniel, Chantal, Fernández Sanz, Javier:
The Vacuum-Ultraviolet Spectrum of Fe(CO)5: an Experimental Analysis Supported by a Casscf CCI Study of the Rydberg States. En: Journal of physical chemistry (1952). 1992. Pag. 121-123

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Gelizé, Michel, Dargelos, Alain:
AB Initio Calculations of Molecular and Electronic Structure of Disilane. I. Molecular Force Field and Vibrational Spectrum. En: Chemical physics (Print). 1991. Vol. 149. Núm. 3. Pag. 311-318

Gelizé, Michel, Dargelos, Alain, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
AB Initio Calculations of Molecular and Electronic Structure of Disilane. II Photoelectron and Vacuum UV Electronic Spectra. En: Chemical physics (Print). 1991. Vol. 149. Núm. 3. Pag. 333-339

Márquez Cruz, Antonio M., González González, Antonio Gustavo, Fernández Sanz, Javier:
AB Initio CI Calculations on the Molecular Structure of Sn2h4 Isomers. En: Chemical physics (Print). 1989. Vol. 138. Pag. 99-104

Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Molecular Structure and Vibrational Analysis of Distannene From AB Initio Second-Order Perturbation Calculations. a Theoretical Approach to the Tin-X Bond (X=c, Si, Ge, and Sn). En: Journal of physical chemistry (1952). 1989. Vol. 93. Pag. 7328-7333

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Dargelos, Alain:
Pente: a Driver for Molecular Optimizations. En: QCPE bulletin. 1989. Vol. 9. Núm. 2. Pag. 55-56

Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Pente: Molecular Optimization Driver. En: QCPE bulletin. 1989. Vol. 9. Núm. 4. Pag. 127-127

Fernández Sanz, Javier, Márquez Cruz, Antonio M., Pouchan, Claude:
Vibrational Spectra of Stannane: Harmonic Force Field, Raman, and IR Intensities From AB Initio Correlated Wavefunctions. En: Chemical physics (Print). 1989. Vol. 130. Pag. 451-456

Márquez Cruz, Antonio M.:
Backup para Interface Beta, Versión 3.0. En: Microhobby. 1984. Vol. 123. Pag. 28-29

Otra participación en Libros de Actas
Sánchez Marcos, Enrique (Editor), Márquez Cruz, Antonio M. (Editor):
Electronic Structure: Principles and Applications. Espa2002. 2002. Departamento de Química Física. Universidad de Sevilla

Aportaciones a Congresos
Márquez Cruz, Antonio M., Plata Ramos, José Javier, Fernández Sanz, Javier:
Understanding the Interplay of Dopants, Interfaces and Anionic Conductivity in Doped Ceria/Zirconia Heteroepitaxial Structures. Comunicación en congreso. 9th Congress on Electronic Structure Principles and Applications. Badajoz (Badajoz). 2014

Fernández Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M.:
Charge Transport at CeO2 Interfaces: Electron Mobility and Oxygen Ion Migration. Sesión plenaria en Congreso. Workshop on QUANTUM SYSTEMS IN CHEMISTRY, PHYSICS, AND BIOLOGY. Paraty, Rio de Janeiro, Brazil. 2013

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fernández Sanz, Javier, Colon Ibañez, Gerardo, et. al.:
Diseño de materiales fotocatalíticos basados en TiO2 mediante codopado anión-catión: una aproximación multidisciplinar. Comunicación en congreso. SECAT'13 Catalizadores y Reactores Estructurados. 2013

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Transport properties in CeO2: From electron transfer to ion-electron coupling. Poster en Congreso. Electronic Structure Principles and applications 2012. 2012

Fernández Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Ruiz Tagle, Igor:
Ceria (100) Nanotubes with Negative Strain Energy: A First-Principles Prediction. Poster en Congreso. Electronic Structure: Principles and Applications (Barcelona 2012). 2012

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Gold Adsorption in New 1D Ceria Materials: from atomistic to Nanoscale Models. Poster en Congreso. Reunión Ibérica de Adsorción Sevilla. Ria 201. 2012

Pacheco Cabrera, Laura Cristina, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
THEORETICAL STUDY OF THE ADSORPTION OF (PbS)n QUANTUM DOTS ON THE TiO2 SURFACE. Poster en Congreso. Reunión Ibérica de Adsorción Sevilla. Ria 201. 2012

Fernández Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M.:
Charge Transport in CeO2: Electron Mobility via Polaron Hopping and Ion-electron Coupling. Ponencia en Congreso. Theory and Applications of Computational Chemistry. Pavia, Italia. 2012

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Ortega García, Yanaris, Fernández Sanz, Javier, Colon Ibañez, Gerardo:
Making Photo-selective TiO2 mateials by cation-anion codoping: from structure and electronic properties to photoactivity. Poster en Congreso. Electronic Structure: Principles and Applications (Barcelona 2012). 2012

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Electronic Properties and Structure of 1d Ceria Materials: From Atomistic to Nanoscale Models. Poster en Congreso. Mini 2012. 2012

Romero Sarria, Francisca, Plata Ramos, José Javier, Sánchez Avellaneda, Rafael, Márquez Cruz, Antonio M., Fernández Sanz, Javier, et. al.:
Role des lacunes d'oxygène dans des catalyseurs d'or: dynamique de surface. Ponencia en Congreso. Rèunion plèniére du GDR OR-NANO. Poitiers (France). 2012

Fernández Sanz, Javier, Plata Ramos, José Javier, Márquez Cruz, Antonio M.:
Theoretical characterization of electron mobility via polaron hopping in strongly correlated systems: The case of bulk ceria. Comunicación en congreso. Understanding Structure and Functions of Reducible Oxide Systems - A Challenge for Theory and Experiment. 2011

Márquez Cruz, Antonio M., Plata Ramos, José Javier, Collico, Veronica, Fernández Sanz, Javier:
Understanding Acetaldehyde Thermal Chemistry on the Tio2 (110) Rutile Surface: From Adsorption to Reactivity. Conferencia Congreso no publicada. Watoc 2011. Santiago de Compostela. 2011. Watoc 2011. 1. 1

Plata Ramos, José Javier, Ruiz-Tagle Gutiérrez, Igor Alberto, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Electronic Properties and Structure of 1d Ceria Materials: From Atomistic to Nanoscale Models. Poster en Congreso. Watoc 2011. Santiago de Compostela. 2011. Watoc 2011. 151. 151

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Role of Coverage and Surface Oxidation Degree in the Adsorption of Acetone on Tio2 (110). a Density Functional Study. Poster en Congreso. Electronic Structure Principles and Applications. Oviedo. 2010. Electronic Structure Principles and Applications. 125. 125

Ortega García, Yanaris, Plata Ramos, José Javier, Márquez Cruz, Antonio M., Cruz Hernández, Norge, Fernández Sanz, Javier:
Origin of Photoactivity and Selectivity of W-,N-Codoping Tio2. Poster en Congreso. Electronic Structure Principles and Applications. Oviedo. 2010. Electronic Structure Principles and Applications. 132. 132

Plata Ramos, José Javier, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Gold Nanoparticles on y Modified Tio2: From Structure and Electronic Properties to Reactivity. Poster en Congreso. Electronic Structure Principles and Applications. Oviedo. 2010. Electronic Structure Principles and Applications. 139. 139

Márquez Cruz, Antonio M.:
Tio2 Functionalization by N-Ion Implantation. a Theoretical DFT Study. Comunicación en congreso. Ibergrid. 4th Iberian Users Conference. Braga (Portugal). 2010. Ibergrid 4th Iberian Users Conference. 1. 15

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Plata Ramos, José Javier:
Modelling the Reactivity At Solid Surfaces: a Workflow Scenario. Conferencia Congreso no publicada. Cost D37 - Joint Working Group and Management Comitee Meeting. Praga (República Checa). 2009. Cost D37 - Joint Working Group and Management Comitee Meeting. 0. 0

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Plata Ramos, José Javier:
Gold Nanoparticles on y Modified Tio2: a Case for Data Mining. Comunicación en congreso. Cost D37 Working Group Wg05 Meeting - Cambridge. Cambridge, Reino Unido. 2009. Cost D37 Working Group Wg05 Meeting - Cambridge (UK). 0. 0

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Plata Ramos, José Javier:
Adsorption of Acetone on Tio2. Comunicación en congreso. Jornadas Ibéricas de Supercomputación. Valencia. 2009. Jornadas Ibéricas de Supercomputación. 2. 2

Plata Ramos, José Javier, Ortega García, Yanaris, Cruz Hernández, Norge, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
W-, N-Codoped Tio2: a Density Functional Theory Insight Into Its Structure and Photocatalytic Properties. Poster en Congreso. 3rd Meeting on High Performance Computing in Molecular Simulation. Madrid (Spain). 2009. 3rd Meeting on High Performance Computing in Molecular Simulation. 38. 38

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Plata Ramos, José Javier:
Gold Particles on y Modified Tio2: a Computational Study. Conferencia Congreso no publicada. 3rd Meeting on High Performance Computing in Molecular Simulation. Madrid (Spain). 2009. 3rd Meeting on High Performance Computing in Molecular Simulation. 32. 32

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Plata Ramos, José Javier:
Acetone Adsorption on Rutile Tio2 (110) Surface From First Principles Calculations. Comunicación en congreso. Ccwf: Computational Chemistry Workflows. Berlin, Alemania. 2008. Cost D37 - Ccwf. 0. 0

Márquez Cruz, Antonio M., Graciani Alonso, Jesus, Fernández Sanz, Javier:
First Steps in the Oxidation of Early Transition Metal Nitrides. Conferencia Congreso no publicada. Gridchem Cost D37 Management Committee and Multi Working Group Meeting. 2008. Gridchem Cost D37 Management Committee and Multi Working Group Meeting. 0. 0

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Graciani Alonso, Jesus:
Computación Paralela en Catálisis Heterogenea Computacional. Comunicación en congreso. I Reunión Sobre e-Ciencia Andaluza. 2007. I Reunión Sobre e-Ciencia Andaluza (Proyecto e-CA). 0. 0

Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Interaction of Oxygen With Tin (001) and Scn (001): a DFT Study. Conferencia Congreso no publicada. The Fifth International Workshop on Oxide Surfaces. Lake Tahoe, California, EE.UU. 2007. The Fifth Interantional Workshop on Oxide Surfaces (Iwox-V). 22. 22

Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Cruz Hernández, Norge, Fernández Sanz, Javier:
Adsorption of CO on Supported Transition Metals: Probing the Metal Surface Charge From First Principles Calculations. Poster en Congreso. The Fifth International Workshop on Oxide Surfaces. Lake Tahoe, California, EE.UU. 2007. The Fifth Interantional Workshop on Oxide Surfaces (Iwox-V). 103. 103

Graciani Alonso, Jesus, Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Computationally Probing the Charge of Metal Atoms Supported on Oxide Surfaces. Poster en Congreso. Catalytic Nano-Oxide Research and Development in Europe: Present and Future . 2006. Catalytic Nano-Oxide Research and Development in Europe: Present and Future. P28. P28

Fernández Sanz, Javier, Oviedo López, Jaime, Márquez Cruz, Antonio M., Odriozola Gordon, José Antonio:
Modeling of Surface Reactions: the Keto-Enol Equilibrium on the Mgo Surface. Poster en Congreso. Espa 2006: Electronic Structure: Principles and Applications. Santiago de Compostela. 2006. Espa 2006: Electronic Structure: Principles and Applications. 168. 168

Márquez Cruz, Antonio M.:
Workflows in Computational Heterogeneous Catalysis. Comunicación en congreso. Computational Chemistry Workflows and Data Management. Cambridge, Reino Unido. 2006. Cost D37. 0. 0

Márquez Cruz, Antonio M.:
Adsorption of PD Atoms on Extended Models of the Gamma-Alumina Surface. Poster en Congreso. Espa 2004. Valladolid. 2004. Espa 2004 Electronic Structure: Principles and Applications. B61. B61

Graciani Alonso, Jesus, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
The Role of Vacancies in the Structure of Alpha-Tio: a DFT Study. Poster en Congreso. Espa 2004. Valladolid. 2004. Espa 2004 Electronic Structure: Principles and Applications. (. )

Márquez Cruz, Antonio M.:
The Role of Vacancies in the Structure of Tio: a DFT Study. Poster en Congreso. Espa 2004. Valladolid. 2004. Espa 2004 Electronic Structure: Principles and Applications. A50. A50

Márquez Cruz, Antonio M.:
Adsorption of PD Atoms and Gamma-Al2o3. a Density Functional Study of Metal-Support Interactions. Comunicación en congreso. International Meeting on Applied Physics. Badajoz. 2003. Book of Abstracts 1st International Meeting on Applied Physics. 438. 438

Márquez Cruz, Antonio M., Dupuis, Michel:
Considerations Regarding the Efficient Recursive Computation of Two Electron Repulsion Integrals Over Gaussian Basis Functions Using the Rys Quadrature. Comunicación en congreso. Espa2002 International Conference on Electronic Structure: Principles and Applications. 2002. Espa2002 International Conference on Electronic Structure: Principles and Applications. B31. B31

Márquez Cruz, Antonio M.:
First Principles Studies of Nitrogen Incorporation on Some Mixed Phosphates. Effects on Surface Structure and Basicity. Poster en Congreso. Fundamentals Aspects of Surface Science. San Feliu de Guixols, España. 2001. Fundamental Aspects of Surface Science. 49. 49

Márquez Cruz, Antonio M.:
A New Algorithm for the Parallel Computation of the Second Derivatives of the RHF Energy. Conferencia Congreso no publicada. Girona Seminar on Molecular Similarity. Gerona, España. 2001. V Girona Seminar on Molecular Similarity. 41. 41

Márquez Cruz, Antonio M., Marquez, A., Fernández Sanz, Javier, Odriozola Gordon, José Antonio, Centeno Gallego, Miguel Angel:
Incorporation of Nitrogen Into Alpon and Mixed Malpon (M=ga,in,TL). Effects on Structure and Thermal Stability. Ponencia en Congreso. International Symposium on Nitrides. Sevilla, España. 2000. Isn't 3. 3. 3

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Experimental and AB Initio Structural Study of the Alpon and Related Catalyst Systems. Poster en Congreso. International Conference on Theoretical Aspects of Heterogeneous Catalysis. La Colle sur Loup, Francia. 2000. 8th International Conference on Theoretical Aspects of Heterogeneous Catalysis. 75. 75

Fernández Sanz, Javier, Márquez Cruz, Antonio M., Cruz Hernández, Norge:
Análisis de la Interacción Metal-Soporte: Adsorción de PD Sobre Alpha-Al2o3 y Tio2 (Rutilo). Poster en Congreso. XXV Congresso Internazionale Dei Chimici Teorici di Espressione Latina. Nápoles (Italia). 1999. XXV Congresso Internazionale Dei Chimici Teorici di Espressione Latina. 142. 142

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Metal-Support Interaction: AB Initio Study of the PD/Alpha-Al2o3 (0001) Interaction. Poster en Congreso. International Conference on Theoretical Aspects of Heterogeneous Catalysis. Cat 98. Tarragona. 1998. 7th International Conference on Theoretical Aspects of Heterogeneous Catalysis. Cat 98. 35. 35

Benitez Jimenez, Jose Jesus, Oviedo López, Jaime, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
AB Initio and Experimental Studies of Amosphous Aluminophosphate Oxynitrides (Alpon). Conferencia Congreso no publicada. International Symposium on Nitrides. Limerick, Irlanda. 1998. Isn't 2. Cn02. Cn02

Márquez Cruz, Antonio M., Fernández Sanz, Javier, Odriozola Gordon, José Antonio:
Geometric and Electronic Structure of Amorphous Aluminophosphates. AB Initio and Experimental Studies. Poster en Congreso. International Conference on Theoretical Aspects of Heterogeneous Catalysis. Cat 98. Tarragona. 1998. 7th International Conference on Theoretical Aspects of Heterogeneous Catalysis. Cat 98. 34. 34

Giessner Prettre, Claude, Márquez Cruz, Antonio M., Gresh, N:
Theoretical Study of the Forces Contributing to the Stability of Dinuclear Metalloenzymes Active Site. Comunicación en congreso. XI Spanish-Italian Congress on Thermodynamics of Metal Complexes. SIMEC-2000. Ademuz, Valencia. 1998. 4th European Biological Inorganic Chemistry Conference (Eurobic-4). X. X

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Metal-Support Interaction: AB Initio Study of the PD/Tio2(110) and PD/Alpha-Al2o3 (0001) Interaction. Conferencia Congreso no publicada. Workshop on Computational Chemistry. Miraflores de la Sierra (España). 1998. Workshop on Computational Chemistry. 24. 24

Fernández Sanz, Javier, Rabaa, H, Poveda, Flor Marina, Jiménez Calzado, Mª Carmen, Márquez Cruz, Antonio M.:
Cluster Models for the (110) Gamma-Al2o3 Surface. AB Initio Study of the Gamma-Al2o3 Hydroxylation. Poster en Congreso. International Congress of Quantum Chemistry. Atlanta, USA. 1997. 9th International Congress of Quantum Chemistry. 281. 281

Márquez Cruz, Antonio M.:
Kgngraf. Conferencia Congreso no publicada. Large Scale Computations in Chemistry: Applications to Materials Science. . Barcelona, España. 1996. Large Scale Computations in Chemistry: Applications to Materials Science. 11. 11

Márquez Cruz, Antonio M.:
AB Initio Study of the Structure and Properties of a Mononuclear Re Catalyst Precursor Supported on Mgo. Poster en Congreso. Chemisorption and Reactivity on Supported Clusters and Thin Films: Towards an Understanding of Microscopic Processes in Catalysis. Erice, Italia. 1996. Chemisorption and Reactivity on Supported Clusters and Thin Films: Towards an Understanding of Microscopic Processes in Catalysis. X. X

Márquez Cruz, Antonio M.:
Parallel Computations in Chemistry. Conferencia Congreso no publicada. Large Scale Computations in Chemistry: Applications to Materials Science. . Barcelona, España. 1996. Large Scale Computations in Chemistry: Applications to Materials Science. 8. 8

Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Structure of a Mononuclear Re Catalyst Supported on Mgo. an AB Initio Study. Conferencia Congreso no publicada. International Conference on Theoretical Aspects of Heterogeneous Catalysis. Tarragona, España. 1996. 6th International Conference on Theoretical Aspects of Heterogeneous Catalysis. 38. 38

Márquez Cruz, Antonio M.:
Parallel Computing in AB Initio Quantum Chemistry. Conferencia Congreso no publicada. Cerc-3 Workshop 1996. Viena, Austria. 1996. Cerc-3 Workshop 1996. 23. 23

Benitez Jimenez, Jose Jesus, Márquez Cruz, Antonio M., Oviedo López, Jaime, Centeno Gallego, Miguel Angel, Fernández Sanz, Javier, et. al.:
Una Nueva Familia de Catalizadores Basicos Solidos: Aluminofosfatos Nitrurados (Alpon). Comunicación en congreso. Reunion Anual del Grupo Especializado de Catalisis. Peñiscola (España). 1995. Reunion Anual del Grupo Especializado de Catalisis (Ragec95). 87. 88

Oviedo López, Jaime, Jiménez Calzado, Mª Carmen, San Miguel Barrera, Miguel Angel, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Tratamiento AB Initio de Fenomenos Localizados en Oxidos Metalicos Mediante Modelos Discretos. Comunicación en congreso. Taller Iberoamericano de Catalisis Computacional Cyted V.4. Cartagena de Indias (Colombia). 1995. II Taller Iberoamericano de Catalisis Computacional Cyted V.4. 0. 0

Oviedo López, Jaime, Jiménez Calzado, Mª Carmen, San Miguel Barrera, Miguel Angel, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Estudio AB Initio de las Propiedades Acido-Base de la Superficie del Mgo Puro y Modificado con Cationes Metalicos. Comunicación en congreso. Congreso Internacional de Quimicos Teoricos de Expresion Latina Quitel95. Pucon (Chile). 1995. XXII Congreso Internacional de Quimicos Teoricos de Expresion Latina Quitel95. 0. 0

San Miguel Barrera, Miguel Angel, Fernández Sanz, Javier, Márquez Cruz, Antonio M.:
Estructura de Carbenos Metálicos. Comunicación en congreso. Taller Iberoamericano de Catalisis Computacional Cyted V.4. 1995. Taller Iberoamericano de Catalisis Computacional Cyted V.4. 0. 0

Mejias Romero, Jose Antonio, Oviedo López, Jaime, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
AB Initio Compact Model Potentials. Theoretical Approach to the Keto-Enol Equilibrium on the Mgo Surface. Poster en Congreso. Quantum Chemical Aspects of Heterogeneous Catalysis. Catalysis Workshop. Berlin, Alemania. 1994. Quantum Chemistry Aspects of Heterogeneous Catalysis. 0. 0

Mejias Romero, Jose Antonio, Oviedo López, Jaime, Capitan Aranda, Maria Jose, Odriozola Gordon, José Antonio, Márquez Cruz, Antonio M., et. al.:
Potenciales Modelo de Grupo. Aplicacion al Estudio de la Quimisorcion de Metano y Acetona Sobre Oxidos Metalicos. Comunicación en congreso. Cyted: Red Tematica de Catalisis Computacional. 1er Taller Iberoamericano. Malaga, España. 1994. Cyted: Red Tematica de Catalisis Computacional. 1er Taller Iberoamericano. 0. 0

Capitan Aranda, Maria Jose, Márquez Cruz, Antonio M., Oviedo López, Jaime, Fernández Sanz, Javier, Odriozola Gordon, José Antonio:
Estudio AB Initio de la Quimisorcion de Metano en Oxidos de Aluminio y Lantano. Comunicación en congreso. Reunion Anual del Grupo Especializado de Catalisis. Cordoba (España). 1993. Reunion Anual del Grupo Especializado de Catalisis (Ragec93). 0. 0

Pacheco Cabrera, Laura Cristina, Márquez Cruz, Antonio M., Fernández Sanz, Javier:
Structural and electronic properties of lead sulfide quantum dots from first principles calculations. Poster en Congreso

Tesis dirigidas y co-dirigidas:


Plata Ramos, José Javier:
Ceria for All Seasons. From Quantum Chemistry to Applications. Tesis Doctoral. 2013

Vicerrectorado de Investigación. Universidad de Sevilla. Pabellón de Brasil. Paseo de las Delicias s/n. Sevilla