Projecten per jaar
Vingerafdruk
- 1 Soortgelijke profielen
Samenwerkingen en hoofdonderzoeksgebieden uit de afgelopen vijf jaar
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IOF3029: Huis van Duurzame Transities
Macharis, C., Galle, W., Mommens, K., Blondeau, J., Runacres, M., Oberthur, S., Lizarazo Rodriguez, C. L., Keserü, I., Bram, S., Thiery, W., Kuppens, T., Aerenhouts, D., Deliens, T., Kalimo, H., Meyer, T., Shahin, J., Trauner, F., Buldeo Rai, H., Willems, K., Bossuyt, F., Tysmans, T., De Temmerman, N., De Laet, L., Mertens, E., De Proft, F., Henrard, K., van Heur, B., Ginis, V., Te Boveldt, G. & Vervoort, I.
1/01/24 → 31/12/28
Project: Toegepast
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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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OZR3895: Bilateral cooperation within the framework of a joint doctoral project: benchfee for joint PhD VUB - KU Leuven, TITECA Charlotte
7/12/21 → 6/12/25
Project: Fundamenteel
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IOF3020: GEAR: Ontwikkeling van technologieën voor duurzame materialen
Hubin, A., Terryn, H., De Graeve, I., Hauffman, T., Van Ingelgem, Y., Rahier, H., Van Assche, G., Van den Brande, N., De Proft, F., Tielens, F., Collet, T. M. & Wouters, B.
1/01/21 → 31/12/25
Project: Toegepast
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Aromaticity Descriptors under Isotropic Pressure
Eeckhoudt, J., De Proft, F., Alonso Giner, M., Neudecker, T. & Dellwisch, A., 24 sep 2024.Onderzoeksoutput: Poster
Open AccessBestand11 Downloads (Pure) -
Aromaticity of Benzene under Isotropic Pressure
Eeckhoudt, J., De Proft, F., Alonso Giner, M., Neudecker, T. & Dellwisch, A., 8 jul 2024.Onderzoeksoutput: Poster
Open AccessBestand15 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, blz. 7430-7442 13 blz.Onderzoeksoutput: Article › peer review
1 Citaat (Scopus) -
Combining extrapolated electron localization functions and Berlin’s binding functions for the prediction of dissociative electron attachment
Titeca, C., Jagau, T. C. & De Proft, F., 14 feb 2024, In: Journal of Chemical Physics. 160, 6, 12 blz., 064115.Onderzoeksoutput: Article › peer review
Open AccessBestand1 Citaat (Scopus)32 Downloads (Pure) -
Enantioselective, Bro̷nsted Acid-Catalyzed Anti-selective Hydroamination of Alkenes
Guria, S., Volkov, A. N., Khudaverdyan, R., Van Lommel, R., Pan, R., Daniliuc, C. G., De Proft, F. & Hennecke, U., 26 jun 2024, In: Journal of the American Chemical Society. 146, 25, blz. 17180-17188 9 blz.Onderzoeksoutput: Article › peer review
2 Citaten (Scopus)
Datasets
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CCDC 2056213: Experimental Crystal Structure Determination
Van Lommel, R. (Creator), Bock, J. (Creator), Hennecke, U. (Creator) & De Proft, F. (Creator), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc270ngd
Dataset
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CCDC 2056212: Experimental Crystal Structure Determination
Van Lommel, R. (Creator), Bock, J. (Creator), Hennecke, U. (Creator) & De Proft, F. (Creator), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc270nfc
Dataset
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CCDC 2056211: Experimental Crystal Structure Determination
Van Lommel, R. (Creator), Bock, J. (Creator), Hennecke, U. (Creator) & De Proft, F. (Creator), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc270ndb
Dataset
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CCDC 2056210: Experimental Crystal Structure Determination
Van Lommel, R. (Creator), Bock, J. (Creator), Hennecke, U. (Creator) & De Proft, F. (Creator), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc270nc9
Dataset
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CCDC 2056208: Experimental Crystal Structure Determination
Van Lommel, R. (Creator), Bock, J. (Creator), Hennecke, U. (Creator) & De Proft, F. (Creator), Cambridge Crystallographic Data Centre, 2021
DOI: 10.5517/ccdc.csd.cc270n97
Dataset
Activiteiten
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Understanding and (re-)Designing of Solid-Electrolyte/Electrode Interfaces of All-Solid-State Batteries through Multiscale Approach
Mesfin Haile Mamme (Speaker), Lieven Bekaert (Speaker), Tewelde Hailay Gebregeorgis (Speaker), Xinhua Zhu (Speaker), Frank De Proft (Speaker) & Annick Hubin (Speaker)
3 sep 2023 → 8 sep 2023Activiteit: Talk or presentation at a conference
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Tier1 project: High-throughput simulations of unexplored polymer/solvent combinations.
Mats Denayer (Recipient) & Frank De Proft (Supervisor)
11 mrt 2022 → 30 nov 2022Activiteit: Written proposal
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Universite Claude Bernard Lyon 1 (Externe Organisatie)
Frank De Proft (Member)
apr 2022 → mei 2022Activiteit: Membership of peer-review panel or committee
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“19th International Conference on Density-Functional Theoryand its Applications” (DFT2022)
Frank De Proft (Chair)
28 aug 2022 → 2 sep 2022Activiteit: Participation in conference
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Ghent University (Externe Organisatie)
Frank De Proft (Member)
30 jun 2021Activiteit: Membership of peer-review panel or committee
Scriptie
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Computational DFT study and organic synthesis of QNO radical derivatives
Auteur: Hendrickx, A., Hennecke, U., De Vleeschouwer, F., Bertouille, J., Desmedt, E., De Proft, F. & Martin, C., jun 2021Scriptie/Masterproef: Master's Thesis
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Regulatory mechanisms behind the activities of bacterial HEPN ribonuclease RnlA and ParE2 gyrase poison
Auteur: Garcia Rodriguez, G., Loris, R., Tompa, P., Ruytinx, J., De Proft, F., Garcia-Pino, A. & Dunham, C., 5 okt 2020Scriptie/Masterproef: Doctoral Thesis
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Regulatory mechanisms within the mazEF family of toxin-antitoxin modules.
Auteur: Zorzini, V., Loris, R., Van Nuland, N., Peeters, E., De Proft, F., Sobott, F. & Lah, J., 12 mei 2015Scriptie/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
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Understanding the electronic and structural effects ik homogeneous and heterogeneous catalysis: a conceptual and computational approach
Auteur: Tielens, F., Geerlings, P., De Proft, F. & Skara, G., 29 apr 2016Scriptie/Masterproef: Doctoral Thesis