Research output per year
Research output per year
Research output
- 3 Article
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Accessing the Free Energy Profile of a Ring Closure in a Proline-Catalyzed Reaction Using a Reactive Force Field
Hubin, P., Jacquemin, D., Leherte, L. & Vercauteren, D. P., 1 Jan 2016, In: Theoretical Chemistry Accounts. 135, 1, p. 1-10 10 p., 16.Research output: Contribution to journal › Article › peer-review
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Quantum Mechanical Investigations on the Role of Neutral and Negatively Charged Enamine Intermediates in Organocatalyzed Reactions
Hubin, P., Jacquemin, D., Leherte, L. & Vercauteren, D. P., 15 Apr 2014, In: Chemical physics. 434, p. 30 - 36 7 p.Research output: Contribution to journal › Article › peer-review
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Theoretical Investigation of the Mechanism of an Iminium-Enamine Conversion in a Proline-Catalyzed Aldol Reaction Using the ReaxFF Reacting Force Field
Hubin, P., Leherte, L. & Vercauteren, D., Mar 2013, In: Chimie nouvelle. 112, p. 7-10 4 p.Research output: Contribution to journal › Article › peer-review
Activities
- 4 Participation in conference
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Annual Meeting of the Doctoral School EDT-CHIM
Pierre Hubin (Contributor)
4 Dec 2015Activity: Participating in or organising an event types › Participation in conference
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CCP5 Workshop: Reactive Force Fields From Development and Implementation to Applications
Pierre Hubin (Contributor)
14 Sep 2015Activity: Participating in or organising an event types › Participation in conference
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8ème Journées-Rencontres des Jeunes Chimites de la SRC
Pierre Hubin (Contributor)
2 Apr 2015Activity: Participating in or organising an event types › Participation in conference
Equipment
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High Performance Computing Technology Platform
Benoît Champagne (Manager)
Technological Platform High Performance ComputingFacility/equipment: Technological Platform
Student Theses
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Investigation of proline-catalyzed aldol reactions using a reactive force field
Author: Hubin, P., 26 Oct 2016Supervisor: Vercauteren, D. (Supervisor), Jacquemin, D. (External person) (Co-Supervisor), Champagne, B. (President), Harvey, J. (External person) (Jury), Lanners, S. (Jury) & Hénin, J. (External person) (Jury)
Student thesis: Doc types › Doctor of Sciences
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ReaxFF-based study of the intramolecular iminium-enamine conversion in a proline-catalyzed reaction
Author: Hubin, P., 2012Supervisor: Vercauteren, D. (Supervisor), Leherte, L. (Co-Supervisor) & Jacquemin, D. (External person) (Co-Supervisor)
Student thesis: Master types › Master in Chemistry