Projecten per jaar
Persoonlijk profiel
Expertise
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Modelling the structure, properties, reactivity and reaction mechanisms of organic and organometallic compounds of biological and technological interest via the application of quantum chemistry methods.
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Development, implementation and application of aromaticity indices for quantifying Hückel and Möbius aromaticity.
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Design of molecular switches based on topology and/or aromaticity changes in expanded porphyrins for nanoelectronic applications.
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Understanding the nature and origin of noncovalent interactions involving aromatic and aliphatic groups and their application in organic chemistry, materials science, and molecular biology.
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Structure, chemical bonding and reactivity of main-group metal complexes.
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Application of neural networks in Chemistry for establishing structure-activity relationships.
Opleiding / Academische kwalificatie
Ph.D. in Chemistry, Complutense University
Master in Chemistry, Complutense University
Pedagogical Aptitude Certificate (CAP), Instituto de Ciencias de la Educación
Bachelor in Chemistry, Complutense University
PhD Courses (210 h), University of Girona
jan 2004 → feb 2004
Externe posities
10% Professorship (10% Zelfstanding Academisch Personeel), Vrije Universiteit Brussel
jan 2016 → …Postdoctoral researcher in the Quantum Chemistry Group (ALGC) of the Vrije Universiteit Brussel (VUB), initially funded by the Marie Curie Research Training Network (FP7) and, at present, funded by the Research Foundation-Flanders (FWO), Vrije Universiteit Brussel
sep 2011 → …Engaged by the Vice-presidency for Organization and Scientific Culture for the management and coordination of the project Movilab, a very important civic participation project whose budget amounted to 400.000 € in two years, CSIC
jan 2010 → aug 2011Postdoctoral researcher in the group Peptides and arenes, Instituto de Química Orgánica General, CSIC
sep 2008 → dec 2009PhD Student in the group Peptides and arenes (supervisor: Dr. Bernardo Herradón), Instituto de Química Orgánica General, CSIC
okt 2002 → aug 2008Bachelor student in the group of Prof. Nazario Martín in the Faculty of Chemistry, Complutense University
okt 2001 → jun 2002Vingerafdruk
Verdiep u in de onderzoeksgebieden waarop Mercedes Alonso Giner actief is. Deze onderwerplabels komen uit het werk van deze persoon. Samen vormen ze een unieke vingerafdruk.
- 1 Soortgelijke profielen
Netwerk
Recente externe samenwerking op landen-/regioniveau. Duik in de details door op de stippen te klikken of
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FWOTM1013: Rationeel moleculair ontwerp van fotoschakelaars voor niet-lineaire optische toepassingen
Desmedt, E., Alonso Giner, M. & De Vleeschouwer, F.
1/11/20 → 31/10/22
Project: Fundamenteel
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FWOTM1003: Naar een Voorspellend Conceptueel Model voor de Polymerisatie van Cyclische Esters Gekatalyseerd door Groep 14 Metaalcomplexen
1/10/20 → 30/09/23
Project: Fundamenteel
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OZR3264: Bilateral cooperation within the framework of a joint doctoral project: Bench Fee for Joint PhD VUB-Sorbonne University, Woller Tatiana
19/06/17 → 20/06/23
Project: Fundamenteel
Onderzoeksoutput
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Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular Gels
Van Lommel, R., De Borggraeve, W., De Proft, F. & Alonso Giner, M., sep 2021, In : Gels. 7, 3, 87.Onderzoeksoutput: Article
Open Access1 Citaat (Scopus) -
Designing Force Probes Based on Reversible 6π-Electrocyclizations in Polyenes Using Quantum Chemical Calculations
Bettens, T., Eeckhoudt, J. P., Hoffmann, M., Alonso Giner, M., Geerlings, P., Dreuw, A. & De Proft, F., 4 jun 2021, In : The Journal of Organic Chemistry. 86, 11, blz. 7477-7489 13 blz.Onderzoeksoutput: Article
Open Access -
Fine-tuning of Nonlinear Optical Contrasts of Hexaphyrin-based Molecular Switches using Inverse Design
Desmedt, E., Woller, T. M., Teunissen, J., De Vleeschouwer, F. & Alonso Giner, M., 3 dec 2021, In : Frontiers in Chemistry. 9, 1014, 786036.Onderzoeksoutput: Article
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Mechanochemically Triggered Topology Changes in Expanded Porphyrins
Bettens, T., Hoffmann, M., Alonso Giner, M., Geerlings, P., Dreuw, A. & De Proft, F., 15 feb 2021, In : Chemistry - a European Journal. 27, 10, blz. 3397-3406 10 blz.Onderzoeksoutput: Article
Open Access1 Citaat (Scopus) -
Reactivity of Single Transition Metal Atoms on a Hydroxylated Amorphous Silica Surface: A Periodic Conceptual DFT Investigation
Deraet, X., Turek, J., Alonso Giner, M., Tielens, F., Cottenier, S., Ayers, P. W., Weckhuysen, B. M. & De Proft, F., 1 apr 2021, In : Chemistry - a European Journal. 27, 19, blz. 6050-6063 14 blz.Onderzoeksoutput: Article
1 Citaat (Scopus)
Prijzen
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FPU predoctoral fellows
Mercedes Alonso Giner (Recipient), 2004
Prijs: Fellowship awarded competitively
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FWO postdoctoral fellowship
Mercedes Alonso Giner (Recipient), 2015
Prijs: Fellowship awarded competitively
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I3P postgraduate fellowship
Mercedes Alonso Giner (Recipient), 2002
Prijs: Fellowship awarded competitively
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Marie Curie individual intra-european fellowship
Mercedes Alonso Giner (Recipient), 2011
Prijs: Fellowship awarded competitively
Activiteiten
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Scheikunde (Organisatie)
Tom Bettens (Presenter), Frank De Proft (Supervisor), Mercedes Alonso Giner (Supervisor), Paul Geerlings (Supervisor), Ulrich Hennecke (Chair), Wim Versées (Jury), Freija De Vleeschouwer (Jury), Andreas Dreuw (Jury), Célia Fonseca Guerra (Jury), Christophe Morell (Chair)13 dec 2021Activiteit: Member of PhD committee
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Chemical Concepts for the Design of Molecular Electronic Devices
Mercedes Alonso Giner (Invited speaker)13 dec 2021Activiteit: Talk or presentation at a conference
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A bottom-up approach towards the design of molecular electronic devices
Mercedes Alonso Giner (Speaker)15 feb 2021 → 19 feb 2021Activiteit: Talk or presentation at a conference
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Hückel-Möbius Interconversions: A Difficult Test for Electronic Structure Methods
Mercedes Alonso Giner (Invited speaker)26 jul 2021Activiteit: Talk or presentation at a conference
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Computational tools to study and predict urea based supramolecular gelation
Mercedes Alonso Giner (Invited speaker)23 sep 2020Activiteit: Talk or presentation at a conference
Knipsels
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Filmed scientific discussion with the Nobel Laureate Prof. Ben Feringa
24/09/18
1 Mediabijdrage
Pers / media: !!Public Engagement Activities
Scriptie
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Analysing reaction pathways for imine hydrogenation reactions catalysed by alkaline earth metal catalysts using DFT
Auteur: De Tobel, B. & Alonso Giner, M., 2019Begeleider: Ballet, S. (Jury) & Alonso Giner, M. (Promotor)
Scriptie/masterproef: Master's Thesis
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Analyzing reaction pathways for imine hydrogenation reactions catalyzed by alkaline earth metal catalysts using DFT
Auteur: De Tobel, B., 3 jul 2019Begeleider: Alonso Giner, M. (Promotor)
Scriptie/masterproef: Master's Thesis
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A spotlight on the interactions governing gelation behavior in water: a combined experimental and computational study of a bis-urea based hydrogel
Auteur: Van Lommel, R. & Van Lommel, R., 2 jul 2018Begeleider: Alonso Giner, M. (Promotor), De Proft, F. (Promotor) & De Borggraeve, W. (Externe persoon) (Promotor)
Scriptie/masterproef: Master's Thesis
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Clustering, visualizing and quantifying aromaticity of expanded porphyrins with neural networks
Auteur: Penson, F., 1 jul 2020Begeleider: Alonso Giner, M. (Promotor) & Turek, J. (Promotor)
Scriptie/masterproef: Master's Thesis
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Exploring the conformations and interactions in peptides with quantum mechanical methodology
Auteur: Alonso Giner, M., De Proft, F., Vranken, W., Oomen, J. & Ballet, S., feb 2017Begeleider: Alonso Giner, M. (Promotor), De Proft, F. (Promotor), Vranken, W. (Promotor) & Ballet, S. (Jury)
Scriptie/masterproef: Master's Thesis