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Dive into the research topics where Thijs Stuyver is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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FWOTM928: Reactivity and transport properties of (di)radical(oid)s: A combined Valence Bond and Conceptual DFT study.
1/10/18 → 30/09/21
Project: Fundamental
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FWOTM735: Qualitative insights into conduction in molecular electronic devices using the Source-and-sink potential method and density functional theory based chemical concepts.
Stuyver, T., De Proft, F., Geerlings, P. & Fias, S.
1/10/14 → 30/09/18
Project: Fundamental
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Single-molecule conductance in a unique cross-conjugated tetra(aminoaryl)-ethene
Alonso Giner, M., Stuyver, T., Venkataraman, L., Gunasekaran, S., García Arroyo, P., Li, L., Mancheño, M. J., Segura, J. L. & Casado, J., 16 Jan 2021, In : Chemical Communications. 57, 5, p. 591-594 4 p.Research output: Contribution to journal › Article
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Electric-Field Mediated Chemistry: Uncovering and Exploiting the Potential of (Oriented) Electric Fields to Exert Chemical Catalysis and Reaction Control
Shaik, S., Danovich, D., Joy, J., Wang, Z. & Stuyver, T., 22 Jul 2020, In : Journal of the American Chemical Society. 142, 29, p. 12551-12562 12 p.Research output: Contribution to journal › Article
31 Citations (Scopus) -
External electric field effects on chemical structure and reactivity
Stuyver, T., Danovich, D., Joy, J. & Shaik, S., 1 Mar 2020, In : Wiley Interdisciplinary Reviews: Computational Molecular Science. 10, 2, e1438.Research output: Contribution to journal › Scientific review
35 Citations (Scopus) -
How Do Local Reactivity Descriptors Shape the Potential Energy Surface Associated with Chemical Reactions? The Valence Bond Delocalization Perspective
Stuyver, T., De Proft, F., Geerlings, P. & Shaik, S., 3 Jun 2020, In : Journal of the American Chemical Society. 142, 22, p. 10102-10113 12 p.Research output: Contribution to journal › Article
Open AccessFile12 Citations (Scopus)29 Downloads (Pure) -
Oriented (Local) Electric Fields Drive the Millionfold Enhancement of the H‐Abstraction Catalysis Observed for Synthetic Metalloenzyme Analogues
Stuyver, T., Ramanan, R., Mallick, D. & Shaik, S., 13 Mar 2020, In : Angewandte Chemie International Edition. 59, 20, p. 7915-7920 6 p.Research output: Contribution to journal › Article
7 Citations (Scopus)
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Aromaticity-conductance relationships in single-molecule junctions
Mercedes Alonso Giner (Invited speaker), Thijs Stuyver (Contributor), Frank De Proft (Contributor)4 Sep 2018Activity: Talk or presentation › Talk or presentation at a conference
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Insights into Molecular Transmission Through Chemical Concpets
Thijs Stuyver (Speaker)9 Nov 2015Activity: Talk or presentation › Talk at an external academic organisation
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Conduction of Molecular Electronic Devices: Insights through Chemical Concepts
Thijs Stuyver (Speaker)28 Nov 2015Activity: Talk or presentation › Talk at an external academic organisation
Thesis
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De ARA-Cluster en de Klimaatimpact: Een vergelijkende studie tussen de (petro)chemische (sub)clusters van Antwerpen en Rotterdam
Author: Stuyver, T. & Haezendonck, E., 2018Supervisor: Haezendonck, E. (Promotor)
Student thesis: Master's Thesis
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Qualitative insights into the transport properties of molecular electronic devises. A quantum chemical approach
Author: Ballet, S. & Stuyver, T., 2018Supervisor: Ballet, S. (Jury)
Student thesis: Doctoral Thesis