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  • 7 Similar Profiles
Anthralin Chemical Compounds
Molecules Chemical Compounds
Nerve Crush Chemical Compounds
Carrier concentration Chemical Compounds
Electrostatics Chemical Compounds
Atoms Chemical Compounds
Butaclamol Chemical Compounds
simulation Physics & Astronomy

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Projects 1991 2019

Research Output 1987 2016

1 Citations
Molecules
field theory (physics)
Hemerythrin
water
molecules
Opioid Receptors
Cereals
Lipids
Proteins
Molecular Dynamics Simulation
1 Citations
Anthralin
atoms
Atoms
spatial resolution
molecular dynamics

Parameterization of the ReaxFF Reactive Force Field for a Proline-Catalyzed Aldol Reaction

Hubin, P., Jacquemin, D., Leherte, L. & Vercauteren, D. P. 4 Sep 2016 In : Journal of computational chemistry. 37, 29, p. 2564-2572 9 p.

Research output: Contribution to journalArticle

Parameterization
Simulated annealing
Set theory
Molecular dynamics
Catalysts

Activities 1987 2017

Applications and prospects in multiresolution analyses of molecular structures and properties

Leherte, L. (Speaker)
31 Jan 2017

Activity: Talk or presentationOral presentation

Chemical Physics (Journal)

Leherte, L. (Peer reviewer)
Jul 2016

Activity: Publication peer-review and editorial workPublication peer-review

Organic & Biomolecular Chemistry (Journal)

Leherte, L. (Peer reviewer)
Feb 2016

Activity: Publication peer-review and editorial workPublication peer-review

Agence Nationale de la Recherche (External organisation)

Leherte, L. (Member)
May 2016

Activity: MembershipMembership of committee

Ecole de Formation Interdisciplinaire pour Doctorants (EFID2016)

Leherte, L. (Participant)
May 2016

Activity: Participating in or organising an eventParticipation in workshop, seminar, course

Thesis

Structural characterization of cyclodextrins: from inclusion complexes to metal organic frameworks (MOFs):

Author: Elasaad, K., 18 Dec 2013

Supervisor: Wouters, J., Leherte, L., Champagne, B., Tinant, B. & Jabin, I.

Student thesis: Doc typesDoctor of Sciences