UJI

Informació personal

ANDRÉS BORT, JUAN MANUEL
  • Catedràtic/a d'Universitat
  • Coordinador/a del grup d'investigació QTC - Química Teòrica i Computacional
  • TC1206DD - (964 728083)
  • andres@uji.es
  • ORCID: 0000-0003-0232-3957

  • Horari Actual


    Horari de tutories de Juan Manuel Andrés Bort


    Primer semestre


    Dia Hora Inicial Hora Final Data Inicial Data Final
    Dilluns 09:00 11:00 10-09-2019 23-01-2020
    Dimecres 09:00 11:00 10-09-2019 23-01-2020
    Divendres 09:00 11:00 10-09-2019 23-01-2020

    Segon semestre


    Dia Hora Inicial Hora Final Data Inicial Data Final
    Dilluns 09:00 11:00 24-01-2020 31-07-2020
    Dimecres 09:00 11:00 24-01-2020 31-07-2020
    Divendres 09:00 11:00 24-01-2020 31-07-2020

    Horari de docència de Juan Manuel Andrés Bort


    Segon semestre


    Assignatura Dia Hora Inicial Hora Final Data Inicial Data Final
    QU0918 - LA1 Dilluns 15:00 19:00 03-02-2020 06-04-2020
    QU0918 - LA3 Dimecres 15:00 19:00 05-02-2020 08-04-2020
    QU0928 - LA4 Dilluns 15:01 18:00 30-03-2020 04-05-2020
    QU0928 - LA4 Dilluns 15:00 18:00 27-01-2020 24-02-2020
    QU0928 - LA4 Dilluns 15:02 17:00 09-03-2020 09-03-2020

    Assignatures amb docència


    Assignatures Titulació
    QU0918 - Química Física II Grau en Química
    QU0928 - Química Física IV Grau en Química
    QU0943 - Trabajo de Final de Grado Grado en Química
    SIM027 - Macromolècules en la Indústria Màster Universitari en Química Aplicada i Farmacològica

    Publicacions


    Publicacions periòdiques amb comitè de selecció


    Llibres


    • Química Teórica y Computacional
    • Juan Manuel Andrés Bort, Juan Beltrán. 2000. Edició. Científic. ISBN 8480213124. Castelló. Ed. Universitat Jaume I.

    • Química Teórica y Computacional
    • Juan Manuel Andrés Bort. 2000. Autoria. Docent. ISBN 8480213124. Castelló. Ed. Universitat Jaume I.

    • Una aplicació de la Química Computacional en Bioquímica
    • Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal. 1996. Autoria. Docent. ISBN 8480211148. -. Ed. Universitat Jaume I.

    • Una aplicació de la Química Computacional en Química Inorgànica
    • Juan Manuel Andrés Bort, Armando Beltrán Flors. 1996. Autoria. Docent. ISBN 8480211156. -. Ed. Universitat Jaume I.

    Capítols de llibre


    • Analysis for the Morphology Prediction of Materials from First Principles Calculations
    • Marisa Carvalho, Thiago M. Duarte, Lourdes Gracia Edo, Elson Longo, Juan Manuel Andrés Bort. Crystal Growth: Concepts, Mechanisms and Applications. New York (Estats Units de l'Amèrica del Nord). Ed. Nova Science Publishers. 2017. ISBN 9781536122039. Científic.

    • Bridging Structure and Real-Space Topology: Understanding Complex Molecules and Solid-State Materials
    • Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal, Lourdes Gracia Edo, Rosa María Llusar Barelles, Elson Longo. Recent Advances in Complex Functional Materials. Cham (Suïssa). Ed. Springer. 2017. ISBN 9783319538976. Científic.

    • Quantum Chemical Topology Approach for Dissecting Chemical Structure and Reactivity
    • Juan Manuel Andrés Bort, Lourdes Gracia Edo, P. Gonzalez, Vicente Sixto Safont Villarreal. Applications of Topological Methods in Molecular Chemistry. Switzerland (Suïssa). Ed. Springer. 2016. ISBN 9783319290201. Científic.

    • Chemical Bonding under Pressure
    • Roberto A. Boto, Marqués. M., Armando Beltrán Flors, Lourdes Gracia Edo, Juan Manuel Andrés Bort, V. Riffet, J. Contreras Garcia. An Introduction to High-Pressure Science and Technology. (840) (Estats Units de l'Amèrica del Nord). Ed. CRC Press. 2015. ISBN 9781498736220. Científic.

    • Hybrid Schemes Based on Quantum Mechanics/Molecular Mechanics Simulations: Goals to Success, Problems and Perspectives
    • Silvia Ferrer Castillo, José Javier Ruiz Pernia, Sergio Martí Forés, Vicente Moliner Ibáñez, Iñaki Tuñón, Juan Bertran, Juan Manuel Andrés Bort. Advances in Protein Chemistry and Structural Biology. Computational Chemistry Methods in Structural Biology (Volume 85). Ed. Elsevier; Academic Press. 2011. ISBN 9780123864857. Científic.

    • A Fresh Look at the Structural, Ferroelectric and Photoluminescent Properties in Perovskites
    • Juan Manuel Andrés Bort, V. Longo, L. Cavalcante, M.L. Moreira, J. Varela, E. Longo. Photoluminescence: Applications, Types and Efficacy. Hauppsuge, N.Y. (Estats Units de l'Amèrica del Nord). Ed. Nova Science Publishers. 2011. ISBN 9781619424265. Científic.

    • Modelización del enlace químico y la reactividad química
    • Julia Contreras, Lourdes Gracia Edo, Armando Beltrán Flors, Juan Manuel Andrés Bort. Materia a Alta Presión.Fundamentos y Aplicaciones. Univ.Oviedo i Univ. Cantabria. Ed. Universidad de Oviedo; Universidad de Cantabria. 2011. ISBN 9788486116361. Científic.

    • An Overview on the Photoluminiscence Emission in ZaO Single Crystal. A Joint Experimental and Theoretical Analysis
    • Renata C. Lima, Juan Manuel Andrés Bort, Julio R. Sambrano, Valeria M. Longo, Leilane R. Macário, Jose W. M. Espinosa, Paulo S. Pizani, Jose A. Varela, Elson Longo. Photoluminescence: Applications, Types and Efficacy. Hauppsuge, N.Y. (Estats Units de l'Amèrica del Nord). Ed. Nova Science Publishers. 2011. ISBN 9781619424265. Científic.

    • Chapter 1. General and Theoretical Aspects of the metal enolates
    • Luis R. Domingo, Juan Manuel Andrés Bort. The Chemistry of Metal Enolates. Part 1 (ed. Zabicky, J.). Chichester, West Sussex. Ed. John Wiley & Sons. 2009. ISBN 9780470061688. Científic.

    • Improving catalytic antibodies by means of computational techniques
    • Sergio Martí Forés, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Estanislao Silla, Iñaki Tuñón, Juan Bertrán. Modelling Molecular Structure and Reactivity in Biological Systems. Ed. Royal Society of Chemistry (RSC). 2006. ISBN 9780854046683. Científic.

    • Generalized diabatic study of ethylene "isomerism"
    • O. Tapia, Victoriano Polo Ortiz, Juan Manuel Andrés Bort. Recent Advances in the Theory of Chemical and Physical Systems (Proceedings of the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX)). Dordrecht, Holanda. Ed. Springer. 2006. ISBN 1402045271. Científic.

    • Hybrid QM/MM Studies on Chemical Reactivity
    • Raquel Castillo Solsona, Mónica Oliva Domínguez, Sergio Martí Forés, Vicente Moliner Ibáñez, I. Tuñón, Juan Manuel Andrés Bort. Recent Research Developments in Quantum Chemistry, Vol 3. India. Ed. Transworld Research Network. 2002. ISBN 817895043X. Científic.

    • Modelización Molecular
    • J. Frau, E. Sánchez Marcos, Juan Manuel Andrés Bort. Química Teórica y Computacional. Castelló. Ed. Universitat Jaume I. 2000. ISBN 8480213124. Científic.

    • Theory of Solvent Effects and the Description of Chemical Reactions. Proton and Hydride Transfer Processes
    • Tapia, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. Theoretical Treatments of Hydrogen Bonding. Estados Unidos. Ed. John Wiley & Sons. 1997. ISBN 9780471973959. Científic.

    Ponències a congressos


    • Feature Engineering for Innovation and Advances in Functional Materials: Does Morphology Matters?
    • Juan Manuel Andrés Bort. I Simpósio de Pesquisa e Inovação em Materiais Functionais. Universidad Federal de São Carlos -UFSCar (Brasil). 23-05-2019. Científic. 2019.

    • Improvement of In2O3 catalytic hidrogenation by palladium doping
    • Juan Manuel Andrés Bort, Iván Sorribes Terrés, Samantha Custódio Silva Lemos, Renata Cristina de Lima. VII Encuentro sobre Nanociencia y Nanotecnologia de Investigadores Andaluces (NANOUCO VII). Córdoba (Espanya). 21-01-2019. Científic. 2019.

    • Deciphering the reduction of nitrobencene catalyzed by a cubane-type Mo3S4 cluster: mechanistic insights
    • Juan Manuel Andrés Bort, Iván Sorribes Terrés, Vicente Sixto Safont Villarreal, Rosa María Llusar Barelles, M.R. Rhyzhikov. VII Encuentro sobre Nanociencia y Nanotecnologia de Investigadores Andaluces (NANOUCO VII). Córdoba (Espanya). 21-01-2019. Científic. 2019.

    • Finding new nanocatalysts for the synthesis of fine chemicals
    • Iván Sorribes Terrés, Juan Manuel Andrés Bort, Avelino Corma. VII Encuentro sobre Nanociencia y Nanotecnologia de Investigadores Andaluces (NANOUCO VII). Córdoba (Espanya). 21-01-2019. Científic. 2019.

    • Modulation by modelling of the morphology of (nano) micromaterials
    • Amanda F. Gouveia, Elson Longo, Juan Manuel Andrés Bort. Nano-Micro Conference 2018. Jeju (Corea, República de Corea del Sur). 17-12-2018. Científic. 2018.

    • Hidrogenación catalítica de alquinos en presencia de clústeres Mo3S4: ménage à trois de azufres
    • Eva María Guillamón Torres, A. G. Algarra, Juan Manuel Andrés Bort, M.J. Fernández-Trujillo, Elena Pedrajas Gual, J.A. Pino Chamorro, Rosa María Llusar Barelles, M.G. Basallote. Workshop H2BioCatO2 2018. Castellón (Espanya). 25-10-2018. Científic. 2018.

    • Estudios teóricos de la reducción de nitrobenceno a anilina catalizada por clústeres Mo3S4 con ligandos difosfina y diamina
    • Vicente Sixto Safont Villarreal, Mónica Oliva Domínguez, Rosa María Llusar Barelles, Eva María Guillamón Torres, Juan Manuel Andrés Bort, Elena Pedrajas Gual, M.G. Basallote, A.G. Algarra. Workshop H2BioCatO2 2018. Castellón (Espanya). 25-10-2018. Científic. 2018.

    • Morphology Change of α-AgVO3 and Influences on the Antibacterial Activity: A Theoretical and Experimental Insights
    • Regiane Cristina Oliveira, Camila Cristina de Foggi, Mayara Mondego Teixeira, Juan Manuel Andrés Bort, Lourdes Gracia Edo, Elson Longo. XVII Brazilian MRS Meeting. Natal (Brasil). 16-09-2018. Científic. 2018.

    • Origami/Kirigami during the Morphology Mapping of Synthetized (Nano)crystals
    • Juan Manuel Andrés Bort. XVII Brazilian MRS Meeting. Natal (Brasil). 16-09-2018. Científic. 2018.

    • Theoretical study of the bulk of BaSnO3 under high pressures
    • Thiago Marinho Duarte, Ieda Maria Garcia Santos, Elson Longo, Juan Manuel Andrés Bort, Armando Beltrán Flors, Anderson Reis Albuquerque, Julio Ricardo Sambrano. XVII Brazilian MRS Meeting. Natal (Brasil). 16-09-2018. Científic. 2018.

    • Photocatalytic activity mediated by oxygen vacancies in bismuth oxyhalides surfaces upon electron beam irradiation
    • Felipe Lipsky, Juan Manuel Andrés Bort, Elson Longo, Edison Z. da Silva, Miguel A. San Miguel. XVII Brazilian MRS Meeting. Natal (Brasil). 16-09-2018. Científic. 2018.

    • Three-center sulfur mechanism of the catalytic semihydrogenation of alkynes using a Mo3S4 cluster
    • Eva María Guillamón Torres, Andrés G. Algarra, Juan Manuel Andrés Bort, M.Jesús Fernández Trujillo, Elena Pedrajas Gual, José Ángel Pino Chamorro, Rosa María Llusar Barelles, Manuel G. Basallote. 6th International Workshop on Transition Metal Clusters (IWTMC 2018). Túbingen (Alemanya). 05-09-2018. Científic. 2018.

    • 1,3-dipolar cycloadditions between cyclic nitrones and ethyl acrylate. A bonding evolution theory study
    • Mónica Oliva Domínguez, Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal. 2nd European Symposium on Chemical Bonding (ESCB2). Oviedo (Espanya). 03-09-2018. Científic. 2018.

    • Back to curly arrows notation: understanding chemical reactivity from the bonding evolution theory
    • Juan Manuel Andrés Bort, Patricio Andrés González Navarrete, Vicente Sixto Safont Villarreal, Mónica Oliva Domínguez, Bernard Silvi. 2nd European Symposium on Chemical Bonding (ESCB2). Oviedo (Espanya). 03-09-2018. Científic. 2018.

    • Cuboidal Mo3S4 Clusters as Molecular Analogs of MoS2 for the Catalytic Hydrogenation of Organic Substrates
    • Rosa María Llusar Barelles, Juan Manuel Andrés Bort, Eva María Guillamón Torres, Mónica Oliva Domínguez, Elena Pedrajas Gual, Vicente Sixto Safont Villarreal, A. G. Algarra, M.G. Basallote, M. J. Fernández Trujillo, J. A. Pino Chamorro. 43rd International Conference on Coordination Chemistry (ICCC 2018). Sendai (Japó). 30-07-2018. Científic. 2018.

    • Mechanistic studies on the alkyne semihydrogenation catalyzed by Mo3S4 clusters - A three-center sulfur mechanism
    • Andrés G. Algarra, Eva María Guillamón Torres, Juan Manuel Andrés Bort, M. Jesús Fernández Trujillo, Elena Pedrajas Gual, José Angel Pino Chamorro, Rosa María Llusar Barelles, Manuel G. Basallote. European Colloquium on Inorganic Reaction Mecanisms (ECIRM 2018). Barcelona (Espanya). 08-07-2018. Científic. 2018.

    • Deciphering the reduction of nitrobencene catalyzed by a cubane-type Mo3S4 cluster: Mechanistic insights
    • Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Rosa María Llusar Barelles, Mónica Oliva Domínguez, Iván Sorribes Terrés, M.R. Rhyzhikov. European Colloquium on Inorganic Reaction Mecanisms (ECIRM 2018). Barcelona (Espanya). 08-07-2018. Científic. 2018.

    • Experimental study on the alkyne semihydrogenation catalyzed by Mo3S4 clusters: looking for intermediates
    • Eva María Guillamón Torres, Andrés G. Algarra, Juan Manuel Andrés Bort, Maria Jesús Fernández Trujillo, Elena Pedrajas Gual, José Angel Pino Chamorro, Rosa María Llusar Barelles, Manuel G. Basallote. European Colloquium on Inorganic Reaction Mecanisms (ECIRM 2018). Barcelona (Espanya). 08-07-2018. Científic. 2018.

    • Unprecedented sulfur centered mechanism of the catalytic hydrogenation of nitroarenes using Mo3S4clusters
    • Rosa María Llusar Barelles, Juan Manuel Andrés Bort, Eva María Guillamón Torres, Mónica Oliva Domínguez, Elena Pedrajas Gual, Vicente Sixto Safont Villarreal, A.G. Algarra, M.G. Basallote. ECIRM2018. European Colloquium on Inorganic Reaction Mecanisms 2018. Barcelona (Espanya). 08-07-2018. Científic. 2018.

    • Relación entre la respuesta fotoluminiscente y la morfología de hidroxiapatitas
    • Thales Rafael Machado, J.C. Sczancoski, M.S. Li, E. Leite, Juan Manuel Andrés Bort, ELSON LONGO DA SILVA, Héctor Beltrán Mir, Eloísa Cordoncillo Cordoncillo. XVIII Reunión Bienal del Grupo Especializado de Química Inorgánica y XII Reunión Bienal del Grupo Especializado de Química del Estado Sólido (QIES 2018). Tenerife (Espanya). 17-06-2018. Científic. 2018.

    • Femtosecond laser induced growth of Silver and Bismuth nanoparticles
    • Thales Rafael Machado, Marcelo Assis, Nadia Guerra, Carlos Doñate Buendía, María Gladis Mínguez Vega, Mayara Mondego, Camila C. de Foggi, Carlos Vergani, Héctor Beltrán Mir, Juan Manuel Andrés Bort, Eloísa Cordoncillo Cordoncillo. XVII Brazilian MRS Meeting. Natal (Brasil). 16-06-2018. Científic. 2018.

    • Coating of titanium surface Ag2WO4 inhibits methicillin-resistant Staphylococcus aureus adhesion
    • Juan Manuel Andrés Bort, C.C. De Foggi, M. Assis, A. Kubo, L.C.L. Santana, C.E. Vergani, A.C. Catto, Elson Longo. V International Conference on Antimicrobial Research (ICAR 2018). Torremolinos (Espanya). 24-05-2018. Científic. 2018.

    • Antifungal properties of silver tungstate (Ag2WO4) irradiated by electron and femtosecond laser
    • E. Longo, C.C. De Foggi, M. Assis, A. Kubo, P.A. Barbugli, C.E. Vergani, Juan Manuel Andrés Bort, Mónica Oliva Domínguez, María Gladis Mínguez Vega, Eloísa Cordoncillo Cordoncillo, Héctor Beltrán Mir, R. Torres Mendieta. V International Conference on Antimicrobial Research (ICAR 2018). Torremolinos (Espanya). 24-05-2018. Científic. 2018.

    • Antibacterial activity of a-Ag2-2xMxWO4 (M=Cu2+) Solid Solutions Obtained by Coprecipitation Method
    • E. Longo, C.C. De Foggi, Paula Fabiana Dos Santos Pereira Lima, M. Assis, C.E. Vergani, Juan Manuel Andrés Bort. V International Conference on Antimicrobial Research (ICAR 2018). Torremolinos (Espanya). 24-05-2018. Científic. 2018.

    • Ag-Bi nanoalloys: Synthesis by femtosecond laser irradiation and antibacterial activity against MRSA and MSSA
    • Juan Manuel Andrés Bort, C.C. Foggi, T.R. Machado, M. Assis, Mónica Oliva Domínguez, María Gladis Mínguez Vega, Eloísa Cordoncillo Cordoncillo, Héctor Beltrán Mir, C. Doñate Buendia, N.G. Macedo, M.M. Teixeira, Elson Longo. V International Conference on Antimicrobial Research (ICAR 2018). Torremolinos (Espanya). 24-05-2018. Científic. 2018.

    • A promising pathway to make in situ groth of Bi nanoparticles: Electron/laser irradiation on NaBiO3 semiconductor
    • M. Assis, Marisa Carvalho de Oliveira, Eloísa Cordoncillo Cordoncillo, Rafael Omar Torres Mendieta, Héctor Beltrán Mir, María Gladis Mínguez Vega, Lourdes Gracia Edo, Edson Roberto Leite, Juan Manuel Andrés Bort, Elson Longo Da Silva. XVI Brazilian MRS Meeting. Gramado (Brasil). 10-09-2017. Científic. 2017.

    • Effect of Heat Treatmenrs on the Structural and Photoluminescence Properties of Hydroxyapatite Nanorods
    • Thales Rafael Machado, Julio Cesar Sczancoski, Héctor Beltrán Mir, Içamira Costa Nogueira, Maximo Siu Li, Juan Manuel Andrés Bort, Eloísa Cordoncillo Cordoncillo, Elson Longo. XVI Brazil MRS Meeting. Gramado (Brasil). 10-09-2017. Científic. 2017.

    • Novel formation of Ag nanoparicles on a-Ag2WO4 by femtosecond laser irradiation
    • Marcelo De Assis, Eloísa Cordoncillo Cordoncillo, Rafael Omar Torres Mendieta, Héctor Beltrán Mir, María Gladis Mínguez Vega, Regiane Cristina De Oliveira, Edson Roberto Leite, Juan Manuel Andrés Bort, Elson Longo Da Silva. XVI Brazilian MRS Meeting. Gramado (Brasil). 10-09-2017. Científic. 2017.

    • Curly Arrows, Electron Flow and Reaction Mechanisms from the Perspective of the Bonding Evolution Theory
    • Patricio Andrés González Navarrete, Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal. XLIIIème Congrès des Chimistes Théoriciens d'Expression Latine (QUITEL-CHITEL 2017). Paris (França). 03-07-2017. Científic. 2017.

    • A Theoretical Study of the C(BH)2 Isomerization by Means of the Bonding Evolution Theory
    • Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Patricio Andrés González Navarrete. XXXVI Reunión Bienal de la Real Sociedad Española de Química. Sitges (Espanya). 25-06-2017. Científic. 2017.

    • Hidrogenación directa de alquinos catalizada por clústeres sulfuro de molibdeno
    • Eva María Guillamón Torres, Elena Pedrajas Gual, Juan Manuel Andrés Bort, Rosa María Llusar Barelles, Andrés G. Algarra, José M. Pino, María Jesús Fernandez Trujillo, Manuel G. Basallote. XXXVI Reunión Bienal de la Sociedad Española de Química. Sitges (Espanya). 25-06-2017. Científic. 2017.

    • Elucidating the mechanisms behind the early events of TIO 2 clusters nucleation: and integrated QM/MM and MD-based approach
    • José Javier Ruiz Pernia, Juan Manuel Andrés Bort, E. Longo, Vicente Moliner Ibáñez. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Correlation between surfaces and morphology: a theoretical study
    • A.F. Gouveia, M.M. Ferrer, Juan Manuel Andrés Bort, E. Longo. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Morphology of bawo4 crystals: a combined theoretical and experimental study
    • M.C. Oliveira, Lourdes Gracia Edo, I.C. Nogueira, M.F.C. Gurgel, J.M.R. Mercury, E. Longo, Juan Manuel Andrés Bort. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Photoluminescence and photocatalytic properties of Ag3PO4 microcrystals
    • G. Botelho, Juan Manuel Andrés Bort, Lourdes Gracia Edo, W. da Silva, E. Longo. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Understanding the reaction mechanism for the claisen rearrangements using quantum chemical topology analysis
    • P. Gonzalez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Anionic magnesium-CO2 complexes obtention from the perspective of the bonding evolution theory
    • Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Gonzalez. P., Juan Manuel Andrés Bort. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Effect of copper ions on the structureoptical and photocatalytic properties of Ag3PO4 microcrystals
    • W. da Silva, G. Botelho, Lourdes Gracia Edo, Juan Manuel Andrés Bort, E. Longo. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Formation of ag nanoparticles on AgVO3 induced by electron irradiation. A omputational study
    • Lourdes Gracia Edo, R.C. de Oliveira, M. Assis, E. Longo, Juan Manuel Andrés Bort. ESPA2016. Castelló (Espanya). 28-06-2016. Científic. 2016.

    • Photocatalytic degradation of Rhodamine B using Ag3PO4 microcrystals synthesized by the microwave-assisted hydrothermal method
    • W. da Silva Pereira, G Botelho, L.S. Matos, Juan Manuel Andrés Bort, Lourdes Gracia Edo, Elson Longo. XIV Brazilian Materials Research Society Meeting (SBP Mat Brazil MRS 2015). Rio de Janeiro (Brasil). 27-09-2015. Científic. 2015.

    • Synthesis of the stable and metastable phases of Ag2WO4 and their physical-chemical characterization
    • R.R. Alvarez, P.S. Lemos, Juan Manuel Andrés Bort, Elson Longo. XIV Brazilian Materials Research Society Meeting (SBP Mat Brazil MRS 2015). Rio de Janeiro (Brasil). 27-09-2015. Científic. 2015.

    • Structural and electronic analysis of the atomic scale nucleation of Ag on silver tungstate, molybdate and phosphate, induced by electron irradiation
    • Lourdes Gracia Edo, Juan Manuel Andrés Bort, Amanda F. Gouveia, Elson Longo. Congreso de Químico Teóricos de Expresión Latina (CHITEL 2015). Torino, Italy. 26-07-2015. Científic. 2015.

    • First steps of the nucleation process in TiO2 syntesis: a theoretical study using QM/MM methods
    • A.F. Gouveia, José Javier Ruiz Pernia, E. Longo, Juan Manuel Andrés Bort. Fourth Internacional Conerence on Hybrid and Nanomaterials (HYMA 2015). Sitges (Espanya). 09-03-2015. Científic. 2015.

    • Structural and optical properties of ZnS/MgNb2O6 heterostructures
    • L.P. Sarejo dos Santos, M.T. Fabbro, L. Santos, Héctor Beltrán Mir, Eloísa Cordoncillo Cordoncillo, Juan Manuel Andrés Bort, E. Longo. XIII Encontro da Sociedade Braseleira de pesquisa em Materais (SBPMat 2014). Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Activity antifungicide promoted by a-Ag2WO4 nanoparticles
    • M.T. Fabbro, Larisa R Rios, L.P. Sarejo dos Santos, Juan Manuel Andrés Bort, E. Longo. XIII Encontro da Sociedade Braseleira de pesquisa em Materais SBPMat 2014. Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Copreciptation/calcination synthesis of the sodium niobate nanoparticles powders at low temperature
    • L.P. Sarejo dos Santos, M.T. Fabbro, C. Saliby, Eloísa Cordoncillo Cordoncillo, Héctor Beltrán Mir, Juan Manuel Andrés Bort, E. Longo. XIII Encontro da Sociedade Braseleira de pesquisa em Materais (SBPMat 2014). Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Crystal Growth and photonic emission of BaCeZrHfO3
    • M.L. Moreira, R. Uarth, T. Strelow, S. da Silva, M.E. Giroldo, Juan Manuel Andrés Bort, E. Longo. XIII Encontro da Sociedade Braseleira de pesquisa em Materais (SBPMat 2014). Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Wet-chemical synthesis of the lithium niobate nanoparticles powders
    • L.P. Sarejo dos Santos, M.T. Fabbro, L.R. Rios, Juan Manuel Andrés Bort, Eloísa Cordoncillo Cordoncillo, E. Longo. XIII Encontro da Sociedade Braseleira de pesquisa em Materais (SBPMat 2014). Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Toward deeper understanding on the physical and chemical properties of ZNs nanocrystals
    • Felipe de Almeida, Juan Manuel Andrés Bort, Elson Longo. XIII Encontro da Sociedade Braseleira de pesquisa em Materais (SBPMat 2014). Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Wulff Construction of SNO@PbO and PbO@SnO Core-Shell by Periodic B3LYP Calculations
    • J. Maul, A.R. Albuquerque, E. Longo, Juan Manuel Andrés Bort, I.M. Garcia Santos, J.R. Sambrano. XIII Encontro da Sociedade Braseleira de pesquisa em Materais (SBPMat 2014). Centro de Convenções de João Pessoa "Poeta Ronaldo Cunha Lima" (Brasil). 28-09-2014. Científic. 2014.

    • Hydrogen atom abstraction via Cytochrome P450 Aromatase: mechanistic insights from the analysis of electron localization function and catastrophe theory (Abstract)
    • Ignacio Viciano Gonzalo, P. González Navarrete, Juan Manuel Andrés Bort, Sergio Martí Forés. 9th Congress on Electronic Structure: Principles and Applications. (ESPA 2014). Badajoz (Espanya). 02-07-2014. Científic. 2014.

    • Connecting theory with experiment: A survey to understand the behaviour of multifuncional metal oxides
    • Juan Manuel Andrés Bort. XII Encontro da SBTMat. Campos do Jordao (76). 29-09-2013. Científic. 2013.

    • Theoretical Study of the binding of some classical inhibitors to Acetylcholinesterase
    • Erica Cristina Moreno Nascimento, Katarzyna Patrycja Swiderek, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, B.L. Martins. 6th. Internacional Theoretical Biophysics Symposium (TheoBio 2013). Gothenburg, Sweden (Suècia). 24-06-2013. Científic. 2013.

    • Creatividad e Innovación en Nanociencia y Nanotecnología. Una Combinación de Teoria, Modelización y Experimento
    • Juan Manuel Andrés Bort. XXXVIII Congress of Theoretical Chemists of Latin Expresion (QUITEL 2012). Natal (76). 02-12-2012. Científic. 2012.

    • Theoretical study of acetylchlinesterase inhibition (Pòsster)
    • Erica Cristina Moreno Nascimento, Katarzyna Patrycja Swiderek, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, J.B. Lopes Martins. XXXVIII Congress of Theoretical Chemists of Latin Expression (QUITEL 2012.). Natal (Brasil). 02-12-2012. Científic. 2012.

    • Looking for Creativity and Innovation in Nanoscience and Nanotechnology: a View from Theory and Simulations
    • Juan Manuel Andrés Bort. XI Brazilian MRS Meeting. Florianópolis-SC (Brasil). 23-09-2012. Científic. 2012.

    • Study of the mechanism of acylation of Acetylcholinesterase
    • Erica Cristina Moreno Nascimento, Juan Manuel Andrés Bort, Mónica Oliva Domínguez, Joao B. L. Martins. 8th Congress on Electronic Structure: Principles and Applications (ESPA2012). Barcelona (Espanya). 26-06-2012. Científic. 2012.

    • Hibrid Schemes Based on Quantum Mechanics/Molecular Mechanics Simulations: Goals to Success, Problems and Perspectives
    • Silvia Ferrer Castillo, José Javier Ruiz Pernia, Sergio Martí Forés, Vicente Moliner Ibáñez, I. Tuñón, J. Bertrán, Juan Manuel Andrés Bort. XXXVII Congreso de Químicos Teóricos de Expresión Latina (QUITEL 2011). Riviera Maya (Mèxic). 04-12-2011. Científic. 2011.

    • Interplay of the Theory and Experimental Investigations in Solid State Phenomena, Material Science and Nanotechnology
    • Juan Manuel Andrés Bort, Armando Beltrán Flors, Lourdes Gracia Edo, V.M. Longo, M. Moreira, J.R. Sambrano, J.A. Varela, E.Longo. XXXVII Congreso de Químicos Teóricos de Expresión Latina (QUITEL2011). Rivera Maya (Mèxic). 04-12-2011. Científic. 2011.

    • Interplay of Theory and Experimental Investigations in Solid State Phenomena, Material Science and Nanotechnology
    • Juan Manuel Andrés Bort, Lourdes Gracia Edo. X Encontro da SBTMat. Gramado-RS (Brasil). 25-09-2011. Científic. 2011.

    • Toward an Understanding of the Hydrogenation Reaction of MO2 Gas Phase Clusters (M = Ti, Zr and Hf). A Two State Reactivity Case
    • Patricio Andrés González Navarrete, M. Calatayud, Juan Manuel Andrés Bort. World Association of Theoretical and Computational Chemists (WATOC-2011). Santiago de Compostela. 17-07-2011. Científic. 2011.

    • Unravelling the slective methanol oxidation to formaldehyde on supported and hydrated isolated vanadades. A Density Functional Theory study
    • Patricio Andrés González Navarrete, Lourdes Gracia Edo, Mónica Calatayud, Juan Manuel Andrés Bort. Understanding Structure and Functionbs of Reducible Oxide Systems: A Challenge for Theory and Experiment (ZCAM). Zaragoza (Espanya). 20-06-2011. Científic. 2011.

    • Unraveling the Mechanims of the Selective Oxidation of Methanol to Formaldehyde in Vanadia Supported on Titania Catalyst
    • Patricio Andrés González Navarrete, Lourdes Gracia Edo, M. Calatayud, Juan Manuel Andrés Bort. 7th Congress on Electronic Structure: Principles and Applications. ESPA 2010. Oviedo. 29-06-2010. Científic. 2010.

    • Effects of Ionic Media on a Diels-Alder Reaction: A Theorical QM/MM Study
    • Raquel Castillo Solsona, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, R. Contreras. Theoretical Chemistry: Modeling Reactivity From Gas Phase To Biomolecules and Solids. Barcelona. 29-06-2009. Científic. 2009.

    • Synthesis, Molecular and electronic structures of a series of Mo3CoQ4 (Q=S, Se) cluster complexes with three different electron populations
    • Antonio Alberola Catalan, Rosa María Llusar Barelles, Cristian Vicent Barrera, Juan Manuel Andrés Bort, Victoriano Polo Ortiz, Carlos J. Gómez-Garcia. International Workshop on Transition Metal Clusters. Rennes (França). 03-07-2008. Científic. 2008.

    • Experimental and computational study of the gas-phase dissociation of Mo3S7 clusters bearing 1,2-benzenedithiolate ligands. New insights on the mechanism of ligand-based internal redox processes
    • Victoriano Polo Ortiz, Cristian Vicent Barrera, Sonia Verónica Triguero Bascuñán, Rosa María Llusar Barelles, Juan Manuel Andrés Bort. 37th/norganic Reaction Mechanisms Group Meeting - 37IRMGM. Barcelona. 09-01-2008. Científic. 2008.

    • Quantum chemical modeling of the process of lithium diffusion into rutile SnO2
    • Fabricio Ronil, Lourdes Gracia Edo, Armando Beltrán Flors, Juan Manuel Andrés Bort. VI Encontro SBPMat. Natal (Brasil). 28-10-2007. Científic. 2007.

    • Methanol oxidation to formaldehyde on vanadium oxide: a theoretical study
    • Patricio Andrés González Navarrete, Lourdes Gracia Edo, Juan Manuel Andrés Bort, M. Calatayud, C. Minot. COST Chemistry D36. Helsinki (Finland). 01-09-2007. Científic. 2007.

    • Combining theoretical description with experimental in situ studies on the effect of alkali dopants on the structure and reactivity of titania-supported vanadium oxide catalyst
    • M. Calatayud, C. Minot, E. Lozano, A.E. Lewandowska, Lourdes Gracia Edo, Juan Manuel Andrés Bort, M.A. Bañares. Europacat VIII. Turku / Åbo (Finland). 26-08-2007. Científic. 2007.

    • Experiment and theory in concert. Searching molecular conductors with multifaceted properties: the case of Mo3S7 trinuclear clusters with outer dithiolate ligands
    • Victoriano Polo Ortiz, Sonia Verónica Triguero Bascuñán, Juan Manuel Andrés Bort, Rosa María Llusar Barelles. V Encontro da SBPMat, Brazilian MRS Meeting 2006. Florianópolis (Brasil). 08-10-2006. Científic. 2006.

    • Phase transitions and structural evolution of tin oxide at high-pressure. A periodic DFT study
    • Lourdes Gracia Edo, Armando Beltrán Flors, Juan Manuel Andrés Bort. 44th EHPRG International Conference. Praga (República Txeca). 04-09-2006. Científic. 2006.

    • Estudo QM/MM de inibidores de integrase do HIV-1
    • Cláudio N. Alves, Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Iñaki Tuñón, Estanislao Silla. Chitel 2006. Côtes de Carthage (Tunísia). 01-09-2006. Científic. 2006.

    • Rational design of improved biological catalysts from computational chemistry techniques
    • Sergio Martí Forés, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, E. Silla, I. Tuñón, J. Bertrán. ESPA 2006. Electronic Structure: Principles and Applications. Santiago de Compostela (España). 18-07-2006. Científic. 2006.

    • Toward an understanding of electronic rearrangements in Cope and Bergman reactions by means of the electron localization function and catastrophe theory
    • Victoriano Polo Ortiz, Juan Manuel Andrés Bort. ESPA 2006. Electronic Structure: Principles and Applications. Santiago de Compostela (España). 18-07-2006. Científic. 2006.

    • Computer Aided Rational Design of Biological Catalysts
    • Sergio Martí Forés, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, E. Silla, I. Tuñón, J. Bertrán. 2006 ISQBP President's Meeting. Estrasburgo (França). 24-06-2006. Científic. 2006.

    • QM/MM Modelling of the formate ion oxydation to CO2 by formate dehydrogenase
    • Mónica Oliva Domínguez, Raquel Castillo Solsona, Sergio Martí Forés, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. 2006 ISQBP President's Meeting.. Estrasburgo (França). 24-06-2006. Científic. 2006.

    • An electron localization function study of squeezed C-C bonds: from bitetrahedrane to propellane
    • Victoriano Polo Ortiz, Bernard Silvi, Juan Manuel Andrés Bort. Chemical reactivity Conference. Brussels (Bèlgica). 05-04-2006. Científic. 2006.

    • A QM/MM study of the protein-ligand interaction energy for inhibitors of HIV-1 IN
    • C. N. Alves, Sergio Martí Forés, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, Raquel Castillo Solsona, I. Tuñon, E. Silla. MedChem Europe 2006. Praga (República Txeca). 21-02-2006. Científic. 2006.

    • A Theoretical Approach to the Study of Chemical Reactions in Biological Catalysis
    • Natalia Kanaan Izquierdo, Sergio Martí Forés, María Teresa Roca Moliner, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, Silvia Ferrer, Iñaki Tuñon, Estanislao Silla, Juan Bertrán, Ian H. Williams, Amnon Kohen. Isotopes in Biological and Chemical Sciences. GRC. Ventura, California, EEUU. 12-02-2006. Científic. 2006.

    • A Density Functional Theory Investigation on the Oxidation of Paracetamol by Cytochrome P450 enzyme
    • Claudio N. Alves, Victoriano Polo Ortiz, Patricio Andrés González Navarrete, Juan Manuel Andrés Bort. BIFI 2006. From Physics to Biology: the interface between experiment and computation. Zaragoza (España). 08-02-2006. Científic. 2006.

    • QM/MM Modelling of the methanol oxydation by quinoprotein methanol dehydrogenase
    • Juan Manuel Andrés Bort, Raquel Castillo Solsona, Mónica Oliva Domínguez, Vicente Moliner Ibáñez. Quantum Atomic & Molecular Tunneling in Solids and Other Condensed Phases. Santiago de Compostela. 27-07-2005. Científic. 2005.

    • A theoretical analysis on the low index surfaces of the natural titania polymorphs. A periodic CFT study
    • Lourdes Gracia Edo, Armando Beltrán Flors, Juan Manuel Andrés Bort. ASEVA Summer School-005. WS-17 Structure, characterisation and properties of Titanium dioxide. Ávila (España). 25-07-2005. Científic. 2005.

    • Migration of Subsurface C impurity in Pd(111)
    • Lourdes Gracia Edo, Monica Calatayud, Juan Manuel Andrés Bort, C. Minot, M. Salmeron. 3rd Annual University of California Symposium on Surface Science and its applications. Berkeley (Estats Units de l'Amèrica del Nord). 03-03-2005. Científic. 2005.

    • A QM/MM Study of the rate limiting step in the Formate Dehydrogenase
    • Mónica Oliva Domínguez, Raquel Castillo Solsona, Sergio Martí Forés, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. Computational Chemical Dynamics. Minnesota (Estats Units). 07-10-2004. Científic. 2004.

    • Theoretical Insights in Enzyme Catalysis. Towards a rational Design of Catalytic Antibodies
    • Vicente Moliner Ibáñez, Sergio Martí Forés, María Teresa Roca Moliner, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Silvia Ferrer, Iñaki Tuñon, Estanislao Silla, Juan Beltrán, Ian H.Williams. ESPA 2004. Electronic Structure. Principles and Applications. Valladolid. España. 15-09-2004. Científic. 2004.

    • Two state reactivity in gas phase
    • Lourdes Gracia Edo, Juan Manuel Andrés Bort, Armando Beltrán Flors, Vicente Sixto Safont Villarreal, J.R. Sambrano. Electronic Structure Principles and Applications 2004. Valladolid. 15-09-2004. Científic. 2004.

    • Bonding in cubane-type [Mo3M'S4] (M' = Co, Ni, Cu) clusters with different metal electron counts: A combined experimental and theoretical study
    • Juan Manuel Andrés Bort, Marta Feliz Rodríguez, Jordi Fraxedas, Rosa María Llusar Barelles, Guillaume Sauthier, Frabricio Sensato, Bernard Silvi, Cristian Vicent Barrera. Conferencia EURESCO en Química Inorgánica. Sant Feliu de Guixols. 04-09-2004. Científic. 2004.

    • A Theoretical Approach to the Study of Enzyme Catalysis. Theory and Applications
    • Vicente Moliner Ibáñez, Sergio Martí Forés, María Teresa Roca Moliner, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Silvia Ferrer, Iñaki Tuñon, Estanislao Silla, Juan Beltrán, Ian H. Willians. m-Theochem. Modelling and Understanding in Theoretical Chemistry. Luca (Itàlia). 01-08-2004. Científic. 2004.

    • Estudis teòrics de reaccions químiques en entorns proteics. Comparació amb resultats experimentals
    • Vicente Moliner Ibáñez, Sergio Martí Forés, María Teresa Roca Moliner, N.Kanaan, Juan Manuel Andrés Bort, I.Tuñon, S.Ferrer, E.Silla, J.Beltrán, Ian H.Williams. XX Reunió de la Xarxa de Química Teórica. Barcelona. España. 12-07-2004. Científic. 2004.

    • Combined experimental and theoretical study of lithium diffusion in LixWO3
    • Frédérik Tielens, Lourdes Gracia Edo, Armando Beltrán Flors, Juan Manuel Andrés Bort, Germán García Belmonte, Jorge García Cañadas, Juan Bisquert Mascarell. ICEI 2004 (International Conference on Electrified Interfaces). Spa ( Belgica). 11-07-2004. Científic. 2004.

    • Theoretical Study of the catalytic mechanism of glycine-N-methyltransferase
    • C. Chiristov, A.Soriano, Raquel Castillo Solsona, B. Moliner, I.Tuñon, Juan Manuel Andrés Bort. 2004 ISQBP President's Meeting. Como (Itàlia). 05-06-2004. Científic. 2004.

    • b-Elimination of phosphate from the terminal intermediate by RuBP carboxylase; A density Functional Study
    • F. Tielens, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort. 2004 International Society of Quantum Biology and Pharmacology President's Meeting. Como (Itàlia). 05-06-2004. Científic. 2004.

    • Análisis mecánico-quantico periódico del titanato de bario con propiedades fotoluminiscentes
    • M.F.C. Gurgel, E. Longo, E.R. Leite, Juan Bautista Carda Castelló, Juan Manuel Andrés Bort. VIII Congreso Mundial de la Calidad del Azulejo y Pavimento Cerámico (Qualicer 2004). Castellón (España). 01-01-2004. Científic. 2004. Ed. Cámara de Comercio de Castellón. ISBN 8495931117.

    • Métodos Híbridos QM/MM Aplicados al Estudio de Reacciones Químicas en Fase Condensada: Reacciones en Disolución y en Entornos Proteicos
    • Vicente Moliner Ibáñez, Sergio Martí Forés, María Teresa Roca Moliner, Juan Manuel Andrés Bort, I. Tuñón, S. Ferrer, E. Silla, J. Bertrán. 29ème Congrès Internacional des Chimistes Théoriciens d'Expression Latine.. Marrakech (Marroc). 07-09-2003. Científic. 2003.

    • Hybrid QM/MM Theoretical Study of the Oxy-Cope Reaction. Potential Energy Surface Exploration and Statistical Methods
    • Sergio Martí Forés, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, J. Bertrán. Modeling Chemical Reactivity: From Gas-Phase to Solution and Enzymes.. Nancy (França). 16-07-2003. Científic. 2003.

    • Estudo Mecanístico sobre a Oxidação de Sulfetos Insaturados a Sulfóxidos e a Sulfonas por Complexos de Mimoun
    • Fabrício R. Sensato, Rogérico Custodio, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Elson Longo. 26ª Reuniao Anual da Sociedade Brasileira de Quimica.. Poços de Caldas (Brasil). 26-05-2003. Científic. 2003.

    • QM/MM Modelling of the Rate Limiting Step Catalyzed by Formate Dehydrogenase: the Hydride Transfer
    • Mónica Oliva Domínguez, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. Modeling Chemical Reactivity: From Gas-Phase to Solution and Enzymes.. Nancy (França). 16-04-2003. Científic. 2003.

    • Interpretation of the bond in Mo3CuS4 and Mo3NiS4 cubane type clusters through topological analysis of the electron localization function (ELF) and electron density (AIM)"
    • Juan Manuel Andrés Bort, Slawomir Artur Berski, Marta Feliz Rodríguez, Fabricio Sensato, Rosa María Llusar Barelles, Bernard Silvi. FD124 Quantum Inorganic Chemistry. York, Gran Bretaña. 14-04-2003. Científic. 2003.

    • Systematic study of the electronic structure in several fluorine-substituted derivatives of C2H6, Si2H6, Ge2H6 and Sn2H6 by topological analysis of the electron localization function (ELF) and electr
    • Juan Manuel Andrés Bort, Rosa María Llusar Barelles, Slawomir Artur Berski, Bernard Silvi. FD124 Quantum Inorganic Chemistry. York, Gran Bretaña. 14-04-2003. Científic. 2003.

    • h2-coordination of O22- species to the molybdenum atom in Mimoun-type complexes. A topological analysis of the electron localization function (ELF)
    • Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal, Fabricio Sensato, Rogérico Custodio, Slawomir Artur Berski. 124th Faraday Discussion. Quantum Inorganic chemistry. York. Gran Bretaña. 14-04-2003. Científic. 2003.

    • Theoretical Studies of Enzyme Reaction Mechanisms: A Combination of QM/MM Optimizations and Statistical Simulations Methods
    • I. Tuñón, E. Silla, Vicente Moliner Ibáñez, Sergio Martí Forés, Juan Manuel Andrés Bort, Joaquín Beltrán Arandes, I.H. Williams, M.J. Field. 6th World Congress of Theoretical Oriented Chemists (WATOC). Lugano (Suiza). 04-08-2002. Científic. 2002.

    • A Hybrid QM/MM Theoretical study of the Molecular Mechanism of the Reaction Catalyzed by the Catechol O-Methyltransferase Enzyme
    • María Teresa Roca Moliner, Vicente Moliner Ibáñez, Sergio Martí Forés, I.Tuñón, Juan Manuel Andrés Bort. 6th World Congress of Theoretical Oriented Chemists (WATOC). Lugano (Suiza). 04-08-2002. Científic. 2002.

    • A Statistical QM/MM and Hybrid PES Exploration Study of the Chorismate Mutase
    • Sergio Martí Forés, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, Joaquín Beltrán Arandes. 6th World Congress of Theoretical Oriented Chemists (WATOC). Lugano (Suiza). 04-08-2002. Científic. 2002.

    • Hybrid QM/MM Methods for Reactions in Condesed Media: Kinetic Isotope Effects Calculations as Proof of Mechanistic Proposals
    • Vicente Moliner Ibáñez, Sergio Martí Forés, Juan Manuel Andrés Bort, E. Silla, I. Tuñón, Joaquín Beltrán Arandes, I.H. Williams, M.J.Field. 6th World Congress of Theoretical Oriented Chemists (WATOC). Lugano (Suiza). 04-08-2002. Científic. 2002.

    • Estudio DFT sobre o mecanismo e energética da oxidação de sulfetos por MoO(O2)2(OPH3)(H2O).
    • Fabricio R. Sensato, R. Custodio, E.F. Souza, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, E. Longo. 25ª Reuniao Anual da Sociedade Brasileira de Quimica. Poços de Caldas. 20-05-2002. Científic. 2002.

    • Reatividade Química ao longo de dois estados electrônicos. A reação entre VO2+ e C2H4.
    • Juan Manuel Andrés Bort, Lourdes Gracia Edo, Vicente Sixto Safont Villarreal, Julio R. Sambrano. XI Simpósio Brasileiro de Química Teórica. Caxambú (Brasil). 18-11-2001. Científic. 2001.

    • A QM/MM Theoretical Study of Enzyme Reaction Mechanism. An Analysis of the Electrostatic and Mechanical Contributions
    • Vicente Moliner Ibáñez, Sergio Martí Forés, Raquel Castillo Solsona, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, J. Bertrán, M.J. Field, P. Sherwood, I.H. Williams. Electronic Structure: Prediction and Applications. Donostia. 04-10-2000. Científic. 2000.

    • Estudios Teóricos de Reacciones Enzimáticas mediante Técnicas Híbridas QM/MM
    • Vicente Moliner Ibáñez, Sergio Martí Forés, Raquel Castillo Solsona, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, J. Bertran, J. Field, I.H. Williams. XXVI Congresso dos Químicos Teóricos de Expressao Latina. Caxambu (Brasil). 03-09-2000. Científic. 2000.

    • QM/MM Modelling of Oxydation of Formate to CO2 in the Active Site of Formate Dehydrogenase
    • Mónica Oliva Domínguez, Raquel Castillo Solsona, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez, P. Sherwood, Ian H. Williams. Computational Biophysics 2000. Nice. 13-06-2000. Científic. 2000.

    • Intramolecular Decomposition of (H-Halo)-Alcoholamines. A Simple Model for the Intracellular Oxidation of Amino Acids and Peptides
    • Juan Manuel Andrés Bort, M. Canle L., M.V. García, Mónica Oliva Domínguez, D.R. Ramos, J.A. Santaballa. Computational Biophysics 2000. Nice. 13-06-2000. Científic. 2000.

    • Theoretical Studies on the Gas Phase Decompositions of Several Carboxylic Acid Derivatives.
    • Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Mónica Oliva Domínguez, Raquel Castillo Solsona, Vicente Moliner Ibáñez, L.R. Domingo, G. Chuchani. 5th World Congress of Theoretically Oriented Chemists WATOC99. Londres. 01-08-1999. Científic. 1999.

    • A QM/MM Study of the molecular mechanism in the reactions catalysed by Rubisco: Transition State Structure Invariance to Model System and Calculation Levels.
    • Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, O. Tapia. 5th World Congress of Theoretically Oriented Chemists WATOC99. Londres. 01-08-1999. Científic. 1999.

    • Theoretical Study of Enzyme Reaction Mechanisms by a Hybrid QM/MM Method.
    • Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Juan Manuel Andrés Bort, A. J. Turner, I.A. Williams. 5th World Congress of Theoretically Oriented Chemists WATOC99. Londres. 01-08-1999. Científic. 1999.

    • A Theoretical Study Of Favorskii Rearrangement by a Hibrid QM/MM Method in Aqueous Solution.
    • Raquel Castillo Solsona, Juan Manuel Andrés Bort, Vicente Moliner Ibáñez. 5th World Congress of Theoretically Oriented Chemists. Londres. 01-08-1999. Científic. 1999.

    • Estructura i Reactivitat Química. Efectes del Medi: Dissolvent i Enzims
    • Juan Manuel Andrés Bort, Armando Beltrán Flors, Rosa María Llusar Barelles, Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, Joaquín Jose Queralt Gimeno, Mónica Oliva Domínguez, Raquel Castillo Solsona, Sergio Martí Forés, Mònica Calatayud Antonino. XV Reunió del Grup de Química Teòrica de Catalunya. Bellaterra (Espanya). 14-06-1999. Científic. 1999.

    • Molecular mechanisms for the carboxylation and oxygenation sequences catalyzed by Rubisco Enzyme.
    • Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, Mónica Oliva Domínguez, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Orlando Tapia. Molecular Structure and Dynamics in Biology. Elba (Itàlia). 08-09-1998. Científic. 1998.

    • Theoretical modelling of reaction mechanisms by a hybrid QM/MM method
    • Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Juan Manuel Andrés Bort. Molecular Structure and Dynamics in Biology. Elba (Itàlia). 08-09-1998. Científic. 1998.

    • Theoretical QM/MM study of enzyme reaction mechanisms
    • Vicente Moliner Ibáñez, Raquel Castillo Solsona, Sergio Martí Forés, Juan Manuel Andrés Bort. 14 th International Conference on Physical Organic Chemistry. 4th Latin American Conference on Physical Organic Chemistry. Florianópolis, Santa Catarina. Brazil. 16-08-1998. Científic. 1998.

    • Comparaison topologique des chemins de réaction de la décomposition de l'acide glycolique.
    • Franck Fuster, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, Bernard Silvi. Journees Francophones des Jeunes Physico-Chimistes. Montpellier. 07-07-1998. Científic. 1998.

    • QM/MM Transition Structure Characterization for Enzyme Molecular Mechanisms
    • Vicente Moliner Ibáñez, Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Juan Manuel Andrés Bort, I. Tuñón, E. Silla, I.H. Williams, A.J. Turner, O. Tapia. European Conference: Computational Chemistry and the Living World. From Sequence to Function. Chambery. 20-04-1998. Científic. 1998.

    • Computational Chemistry Applied to Enzyme Catalysis: The Rubisco Case.
    • Juan Manuel Andrés Bort, Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez, O. Tapia. European Conference: Computational Chemistry and the Living World. From Sequence to Function. Chambery (França). 20-04-1998. Científic. 1998.

    • Transition Structure Invariances in Rubisco Catalytic Mechanism: Modelling the Magnesium Coordination Sphere effects on TSs
    • Mónica Oliva Domínguez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Juan Manuel Andrés Bort, Orlando Tapia. Third European Workshop on Quantum Systems in Chemistry and Physics. Granada. 19-04-1998. Científic. 1998.

    • A Hybrid QM/MM Theoretical Study of the Favorskii Rearrangement
    • Raquel Castillo Solsona, Sergio Martí Forés, Mónica Oliva Domínguez, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort. Third European Workshop on Quantum Systems in Chemistry and Physics. Granada. 19-04-1998. Científic. 1998.

    Direcció de tesis en altres institucions acadèmiques


    • Investigação Teórica de Materiais Multiferróicos
    • Sergio Ricardo de Lázaro, Juan Manuel Andrés Bort. Universidade Estadual de Ponta Grossa (Brasil). Pontes Ribeiro, Renan Augusto. Num. Aprobado . 26-02-2019.

    • Nanoestructuras hierárquicas de ZnS: Fotoluminescência e Fotocatálise
    • Elson Longo, Juan Manuel Andrés Bort. Universidade Estadual Paulista (076). La Porta, Felipe de Almeida. Num. Aprovado. 27-06-2014.

    Conferències invitades en altres centres d'investigació


    • Química Teórica Aplicada ao Desenvolvimento de novos Materiais
    • Juan Manuel Andrés Bort. Universidade Federal Da Paraiba. 29-11-2013.

    • Connecting theory with experimente: a survey to understand the behaviour of multifunctional metal oxides
    • Juan Manuel Andrés Bort. Universidade Federal da Paraiba. 28-11-2013.

    • Estructura i reactivitat química. Efectes del medi: dissolvents i enzims.
    • Juan Manuel Andrés Bort. Workshop em Ceramicas Nanoestructuradas e Interfaces.Universisade Federale de Sao Carlos (Brasil). 14-06-2004.

    Comités de congresos


    • Juan Manuel Andrés Bort, Armando Beltrán Flors, Vicente Moliner Ibáñez, Vicente Sixto Safont Villarreal, Raquel Castillo Solsona, Silvia Ferrer Castillo, Lourdes Gracia Edo, Rosa María Llusar Barelles, Sergio Martí Forés, Mónica Oliva Domínguez, José Javier Ruiz Pernia, María Teresa Roca Moliner. 10th Congress on Electronic Structure: Principles and Applications (ESPA2016). Castellón (Espanya). 28-06-2016. Científic.

    • Vicente Moliner Ibáñez, Juan Manuel Andrés Bort, Raquel Castillo Solsona, Sergio Martí Forés. Isotopes07. Benicàssim (Spain). 27-05-2007. Científic.

    Referee de publicacions periòdiques


    • Juan Manuel Andrés Bort. 2020 NATURE COMMUNICATIONS.

    • Juan Manuel Andrés Bort. 2018 JOURNAL OF COMPUTATIONAL CHEMISTRY.

    • Juan Manuel Andrés Bort. 2016 MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECH.

    • Juan Manuel Andrés Bort. 2016 PHYSICAL CHEMISTRY CHEMICAL PHYSICS.

    • Juan Manuel Andrés Bort. 2015 INORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2015 CHEMICAL PHYSICS LETTERS.

    • Juan Manuel Andrés Bort. 2015 MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECH.

    • Juan Manuel Andrés Bort. 2015 Arabian Journal of Chemistry.

    • Juan Manuel Andrés Bort. 2015 MATERIALS RESEARCH BULLETIN.

    • Juan Manuel Andrés Bort. 2015 JOURNAL OF ALLOYS AND COMPOUNDS.

    • Juan Manuel Andrés Bort. 2015 Journal of the Iranian Chemical Society.

    • Juan Manuel Andrés Bort. 2015 ORBITAL THE ELECTRONIC JOURNAL OF CHEMISTRY.

    • Juan Manuel Andrés Bort. 2015 MATERIALS SCIENCE AND ENGINEERING B-SOLID STATE MATERIALS FOR ADVANCED TECH.

    • Juan Manuel Andrés Bort. 2015 INTERNATIONAL JOURNAL OF CHEMICAL KINETICS.

    • Juan Manuel Andrés Bort. 2015 COMPUTATIONAL AND THEORETICAL CHEMISTRY.

    • Juan Manuel Andrés Bort. 2015 JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY.

    • Juan Manuel Andrés Bort. 2015 PHYSICAL CHEMISTRY CHEMICAL PHYSICS.

    • Juan Manuel Andrés Bort. 2015 THEORETICAL CHEMISTRY ACCOUNTS.

    • Juan Manuel Andrés Bort. 2006 INTERNATIONAL JOURNAL OF MASS SPECTROMETRY.

    • Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal. 2006 CHEMICAL PHYSICS.

    • Armando Beltrán Flors, Juan Manuel Andrés Bort. 2006 CHEMICAL PHYSICS LETTERS.

    • Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal. 2006 JOURNAL OF ORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2006 JOURNAL OF COMPUTATIONAL CHEMISTRY.

    • Juan Manuel Andrés Bort. 2006 JOURNAL OF CHEMICAL THEORY AND COMPUTATION.

    • Juan Manuel Andrés Bort. 2006 JOURNAL OF CHEMICAL PHYSICS.

    • Juan Manuel Andrés Bort. 2006 JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY.

    • Juan Manuel Andrés Bort. 2006 COMPUTATIONAL MATERIALS SCIENCE.

    • Armando Beltrán Flors, Juan Manuel Andrés Bort. 2006 APPLIED PHYSICS LETTERS.

    • Juan Manuel Andrés Bort, Vicente Sixto Safont Villarreal, Vicente Moliner Ibáñez. 2006 JOURNAL OF PHYSICAL CHEMISTRY A.

    • Armando Beltrán Flors, Juan Manuel Andrés Bort. 2006 JOURNAL OF PHYSICAL CHEMISTRY B.

    • Rosa María Llusar Barelles, Vicente Moliner Ibáñez, Juan Manuel Andrés Bort. 2006 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.

    • Juan Manuel Andrés Bort. 2005 HETEROATOM CHEMISTRY.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF COMPUTATIONAL CHEMISTRY.

    • Juan Manuel Andrés Bort. 2005 SURFACE SCIENCE.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF PHYSICAL CHEMISTRY A.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF MOLECULAR MODELING.

    • Juan Manuel Andrés Bort. 2005 CHEMICAL PHYSICS LETTERS.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF CHEMICAL PHYSICS.

    • Juan Manuel Andrés Bort. 2005 JOURNAL OF ORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2004 JOURNAL OF ORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2004 JOURNAL OF PHYSICAL CHEMISTRY A.

    • Juan Manuel Andrés Bort. 2004 JOURNAL OF CHEMICAL PHYSICS.

    • Juan Manuel Andrés Bort. 2004 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.

    • Juan Manuel Andrés Bort. 2004 JOURNAL OF ORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2004 TETRAHEDRON.

    • Juan Manuel Andrés Bort. 2004 CHEMICAL PHYSICS LETTERS.

    • Juan Manuel Andrés Bort. 2003 JOURNAL OF ORGANIC CHEMISTRY.

    • Juan Manuel Andrés Bort. 2003 JOURNAL OF PHYSICAL CHEMISTRY A.

    • Juan Manuel Andrés Bort. 2003 JOURNAL OF CHEMICAL PHYSICS.

    • Juan Manuel Andrés Bort. 2003 CHEMICAL PHYSICS LETTERS.

    • Juan Manuel Andrés Bort. 2002 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY.

    Estades d'Investigadors invitats per a les que l'UJI no haja obtingut finançament


    • Caracterización topológica del enlace químico
    • Juan Manuel Andrés Bort. , Slawomir Berski. 24 mesos. 01-06-2002.

    • Reactividad de compuestos de molibdeno como oxidantes de sulfóxidos y tioéteres
    • Juan Manuel Andrés Bort. , Fabricio Ronil Sensato. 1 mesos. 01-06-2002.

    • Mecanismos moleculares de reacciones químicas
    • Juan Manuel Andrés Bort. , Juan Bertrán Rusca. 1 mesos. 15-05-2002.

    • Estudio teórico en superficies semiconductoras y cerámicas, reactividad química
    • Juan Manuel Andrés Bort. , Joao Batista Lopes Martins. 1 mesos. 01-02-2002.

    • Estudios teóricos del mecanismo molecular de la enzima Rubisco.
    • Juan Manuel Andrés Bort. , Orlando Tapia Olivares. 1 mesos. 01-02-2002.

    • Estudio teórico de la relación estructura-propiedades en clusters heterobimetálicos de Mo o W con calcógenos
    • Juan Manuel Andrés Bort. , Fabricio Ronil Sensato. 3 mesos. 01-09-2001.

    • Estudis teórics de la reactivitat química dels óxids de vanadi
    • Juan Manuel Andrés Bort. , Julio Ricardo Sambrano. 2 mesos. 01-05-2001.

    • Estudio topológico del enlace químico
    • Juan Manuel Andrés Bort. , Slawomir Berski. 4 mesos. 01-02-2001.

    • Efectos estáticos y dinámicos del entorno enzimático en reacciones de tipo Diels-Alder
    • Juan Manuel Andrés Bort. , Manuel F. Ruiz López. 1 mesos. 01-02-2001.

    • Estudios teóricos del estado sólido
    • Juan Manuel Andrés Bort. , José Manuel Recio. 6 mesos. 01-10-2000.