Projects per year
Personal profile
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.
Education/Academic qualification
Ph.D. in Chemistry, Complutense University
Award Date: 1 Jul 2008
Master in Chemistry, Complutense University
Award Date: 1 Jul 2005
Pedagogical Aptitude Certificate (CAP), Instituto de Ciencias de la Educación
Award Date: 1 Mar 2003
Bachelor in Chemistry, Complutense University
Award Date: 1 Sep 2002
PhD Courses (210 h), University of Girona
Jan 2004 → Feb 2004
External positions
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 2011
Postdoctoral researcher in the group Peptides and arenes, Instituto de Química Orgánica General, CSIC
Sep 2008 → Dec 2009
PhD Student in the group Peptides and arenes (supervisor: Dr. Bernardo Herradón), Instituto de Química Orgánica General, CSIC
Oct 2002 → Aug 2008
Bachelor student in the group of Prof. Nazario Martín in the Faculty of Chemistry, Complutense University
Oct 2001 → Jun 2002
Fingerprint
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Collaborations and top research areas from the last five years
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SRP73: SRP-Onderzoekszwaartepunt: Understanding, predicting, and tailoring molecular and material properties and reactivity through combined conceptual and computational quantum chemical approaches
De Proft, F., Tielens, F., Alonso Giner, M. & De Vleeschouwer, F.
1/11/22 → 31/10/27
Project: Fundamental
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FWOTM1013: Rational molecular design of photoswitches for nonlinear optical applications
Desmedt, E., Alonso Giner, M. & De Vleeschouwer, F.
1/11/20 → 31/10/24
Project: Fundamental
Research output
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Aromaticity and Magnetic Behavior in Benzenoids: Unraveling Ring Current Combinations
Leyva‐Parra, L., Pino‐Rios, R., Inostroza, D., Solà, M., Alonso, M. & Tiznado, W., 2 Jan 2024, In: Chemistry – A European Journal. 30, 1, 8 p., e202302415.Research output: Contribution to journal › Article › peer-review
Open AccessFile8 Citations (Scopus)18 Downloads (Pure) -
Aromaticity Descriptors under Isotropic Pressure
Eeckhoudt, J., De Proft, F., Alonso Giner, M., Neudecker, T. & Dellwisch, A., 24 Sep 2024.Research output: Unpublished contribution to conference › Poster
Open AccessFile12 Downloads (Pure) -
Aromaticity in the Spectroscopic Spotlight of Hexaphyrins
Desmedt, E., Casademont‐Reig, I., Monreal‐Corona, R., Vleeschouwer, F. D. & Alonso, M., 12 Aug 2024, In: Chemistry – A European Journal. 30, 52, e202401933.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus) -
Aromaticity of Benzene under Isotropic Pressure
Eeckhoudt, J., De Proft, F., Alonso Giner, M., Neudecker, T. & Dellwisch, A., 8 Jul 2024.Research output: Unpublished contribution to conference › Poster
Open AccessFile15 Downloads (Pure) -
Bond Lengths and Dipole Moments of Diatomic Molecules under Isotropic Pressure with the XP-PCM and GOSTSHYP Models
Eeckhoudt, J., De Proft, F., Alonso Giner, M. & Geerlings, P., 27 Aug 2024, In: Journal of Chemical Theory and Computation. 20, 17, p. 7430-7442 13 p.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus)
Prizes
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FPU predoctoral fellows
Alonso Giner, Mercedes (Recipient), 2004
Prize: Fellowship awarded competitively
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FWO postdoctoral fellowship
Alonso Giner, Mercedes (Recipient), 2015
Prize: Fellowship awarded competitively
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I3P postgraduate fellowship
Alonso Giner, Mercedes (Recipient), 2002
Prize: Fellowship awarded competitively
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Marie Curie individual intra-european fellowship
Alonso Giner, Mercedes (Recipient), 2011
Prize: Fellowship awarded competitively
Activities
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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 2022Activity: Other › Written proposal
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Hückel-Möbius Interconversions: A Difficult Test for Electronic Structure Methods
Mercedes Alonso Giner (Invited speaker)
26 Jul 2021Activity: Talk or presentation › Talk or presentation at a conference
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Chemistry (Organisational unit)
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 2021Activity: Membership › Member of PhD committee
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Chemical Concepts for the Design of Molecular Electronic Devices
Mercedes Alonso Giner (Invited speaker)
13 Dec 2021Activity: Talk or presentation › 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 2021Activity: Talk or presentation › Talk or presentation at a conference
Press/Media
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Filmed scientific discussion with the Nobel Laureate Prof. Ben Feringa
24/09/18
1 Media contribution
Press/Media: Public Engagement Activities
Thesis
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Stereoselective reductions of 2- and 3-substituted cyclobutanones: a comparison between experiment and DFT
Author: Alonso Giner, M., De Proft, F., Verniest, G. & Deraet, X., Jul 2017Student thesis: Master's Thesis
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The role of different types of noncovalent bonding as Lewis-type catalysts in three prototypical Diels-Alder reactions
Author: Faulkner, V., De Vleeschouwer, F., De Proft, F., Hennecke, U. & Alonso Giner, M., Sep 2019Student thesis: Master's Thesis