Projects per year
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Dive into the research topics where Frank De Proft is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
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IOF3029: House of Sustainable Transitions
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.
1/01/24 → 31/12/28
Project: Applied
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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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IOF3020: GEAR: Sustainable Material Technologies (SuMaT).
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.
1/01/21 → 31/12/25
Project: Applied
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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Eeckhoudt, J., De Proft, F., Alonso Giner, M., Neudecker, T. & Dellwisch, A., 8 Jul 2024.Research output: Unpublished contribution to conference › Poster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 AccessFile9 Downloads (Pure) -
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 p., 064115.Research output: Contribution to journal › Article › peer-review
Open AccessFile1 Citation (Scopus)24 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, p. 17180-17188 9 p.Research output: Contribution to journal › Article › peer-review
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Extending the Scope of Conceptual Density Functional Theory with Second Order Analytical Methodologies
Wang, B., Geerlings, P., Liu, S. & De Proft, F., 13 Feb 2024, In: Journal of Chemical Theory and Computation. 20, 3, p. 1169-1184 16 p.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus) -
Foreword for the Festschrift on the occasion of the 65th birthday of Professor Pratim Kumar Chattaraj
De Proft, F., Ayers, P. W. & Liu, S., Feb 2024, In: Theoretical Chemistry Accounts. 143, 2, 2 p.Research output: Contribution to journal › Editorial
Open Access
Datasets
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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 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 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 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 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
Activities
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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 2023Activity: Talk or presentation › Talk or presentation at a conference
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“19th International Conference on Density-Functional Theoryand its Applications” (DFT2022)
Frank De Proft (Chair)
28 Aug 2022 → 2 Sep 2022Activity: Participating in or organising an event › Participation in conference
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Tier1 project: High-throughput simulations of unexplored polymer/solvent combinations.
Mats Denayer (Recipient) & Frank De Proft (Supervisor)
11 Mar 2022 → 30 Nov 2022Activity: Other › Written proposal
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Universite Claude Bernard Lyon 1 (External organisation)
Frank De Proft (Member)
Apr 2022 → May 2022Activity: Membership › Membership of peer-review panel or committee
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Chemical Concepts from Density Functional Theory: Influence of Electric and Magnetic Fields, Mechanical Force and Pressure
Frank De Proft (Speaker)
13 Aug 2021 → 20 Aug 2021Activity: Talk or presentation › Talk or presentation at a conference
Thesis
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Computational DFT study and organic synthesis of QNO radical derivatives
Author: Hendrickx, A., Hennecke, U., De Vleeschouwer, F., Bertouille, J., Desmedt, E., De Proft, F. & Martin, C., Jun 2021Student thesis: Master's Thesis
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Regulatory mechanisms behind the activities of bacterial HEPN ribonuclease RnlA and ParE2 gyrase poison
Author: Garcia Rodriguez, G., Loris, R., Tompa, P., Ruytinx, J., De Proft, F., Garcia-Pino, A. & Dunham, C., 5 Oct 2020Student thesis: Doctoral Thesis
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Regulatory mechanisms within the mazEF family of toxin-antitoxin modules.
Author: Zorzini, V., Loris, R., Van Nuland, N., Peeters, E., De Proft, F., Sobott, F. & Lah, J., 12 May 2015Student thesis: Doctoral 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
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Understanding the electronic and structural effects ik homogeneous and heterogeneous catalysis: a conceptual and computational approach
Author: Tielens, F., Geerlings, P., De Proft, F. & Skara, G., 29 Apr 2016Student thesis: Doctoral Thesis