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
Datum van toekenning: 1 jul 2008
Master in Chemistry, Complutense University
Datum van toekenning: 1 jul 2005
Pedagogical Aptitude Certificate (CAP), Instituto de Ciencias de la Educación
Datum van toekenning: 1 mrt 2003
Bachelor in Chemistry, Complutense University
Datum van toekenning: 1 sep 2002
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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SRP73: SRP-Onderzoekszwaartepunt: Begrijpen, voorspellen en op maat maken van moleculaire en materiaaleigenschappen en reactiviteit door gecombineerde conceptuele en computational kwantumchemische aanpakken
De Proft, F., Tielens, F., Alonso Giner, M. & De Vleeschouwer, F.
1/11/22 → 31/10/27
Project: Fundamenteel
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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 → 31/10/24
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
Onderzoeksoutput
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Atomic Reactivity Descriptors from Conceptual DFT under Isotropic Pressure
Eeckhoudt, J., Alonso Giner, M., Bettens, T., De Proft, F., Geerlings, P., Chen, B. & Cammi, R., 30 sep 2022.Onderzoeksoutput: Poster
Bestand6 Downloads (Pure) -
Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms
Eeckhoudt, J., Alonso Giner, M., De Proft, F., Geerlings, P., Bettens, T., Chen, B. & Cammi, R., jul 2022, In: Chemical Science. 13, 32, blz. 9329-9350 22 blz.Onderzoeksoutput: Article › peer review
Open Access4 Citaten (Scopus) -
Conceptual Density Functional Theory under Pressure: XP-PCM Method Applied to Atoms
Eeckhoudt, J., Alonso Giner, M., Bettens, T., Geerlings, P., De Proft, F., Cammi, R. & Chen, B., 23 jun 2022. 1 blz.Onderzoeksoutput: Poster
Open AccessBestand5 Downloads (Pure) -
SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates
Li, B-Y., Voets, L., Lommel, R. V., Hoppenbrouwers, F., Alonso, M., Verhelst, S. H. L., Borggraeve, W. M. D. & Demaerel, J., 23 feb 2022, In: Chemical Science. 13, 8, blz. 2270-2279 10 blz.Onderzoeksoutput: Article › peer review
Open AccessBestand3 Citaten (Scopus)52 Downloads (Pure) -
Uncovering the Activity of Alkaline Earth Metal Hydrogenation Catalysis Through Molecular Volcano Plots
Das, S., Tobel, B. D., Alonso, M. & Corminboeuf, C., 1 feb 2022, In: Topics in Catalysis. 65, 1-4, blz. 289-295 7 blz.Onderzoeksoutput: Article › peer review
Open AccessBestand2 Citaten (Scopus)12 Downloads (Pure)
Prijzen
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FPU predoctoral fellows
Alonso Giner, Mercedes (Recipient), 2004
Prijs: Fellowship awarded competitively
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FWO postdoctoral fellowship
Alonso Giner, Mercedes (Recipient), 2015
Prijs: Fellowship awarded competitively
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I3P postgraduate fellowship
Alonso Giner, Mercedes (Recipient), 2002
Prijs: Fellowship awarded competitively
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Marie Curie individual intra-european fellowship
Alonso Giner, Mercedes (Recipient), 2011
Prijs: Fellowship awarded competitively
Activiteiten
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HPC-Europa3 Transnational Access programme application (HPC1712167)
Eline Desmedt (Recipient), Freija De Vleeschouwer (Supervisor), Mercedes Alonso Giner (Supervisor) & Remco WA Havenith (Host)
28 feb 2022 → 2 apr 2022Activiteit: Written proposal
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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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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 (Jury)
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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Scheikunde (Organisatie)
Tatiana Marianne Woller (Presenter), Mercedes Alonso Giner (Supervisor), Julia Contreras-García (Supervisor), Frank De Proft (Supervisor), Ulrich Hennecke (Chair), Freija De Vleeschouwer (Jury), Vanessa Labet (Jury), Monica Calatayud (Jury), Gabriel Merino (Jury), Eduard Matito (Jury) & Vincent Ginis (Jury)
31 aug 2021Activiteit: Member of PhD committee
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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Rational design of azoheteroarene photoswitches for nonlinear optical applications
Auteur: Smets, D. B. E., Alonso Giner, M., De Vleeschouwer, F., Desmedt, E., De Proft, F. & Hennecke, U., sep 2022Scriptie/Masterproef: Master's Thesis
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Stereoselective reductions of 2- and 3-substituted cyclobutanones: a comparison between experiment and DFT
Auteur: Alonso Giner, M., De Proft, F., Verniest, G. & Deraet, X., jul 2017Scriptie/Masterproef: Master's Thesis
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Structure, aromaticity, protease inhibition and toxicity of arenes. Computational and experimental studies
Auteur: Alonso Giner, M., 11 jul 2008Begeleider: Herradón, B. (Externe persoon) (Promotor)
Scriptie/Masterproef: Doctoral Thesis
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The role of different types of noncovalent bonding as Lewis-type catalysts in three prototypical Diels-Alder reactions
Auteur: Faulkner, V., De Vleeschouwer, F., De Proft, F., Hennecke, U. & Alonso Giner, M., sep 2019Scriptie/Masterproef: Master's Thesis