Activities per year
Activities
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NISM Annual Meeting 2023
Vincent Liegeois (Organiser)
18 Dec 2023Activity: Participating in or organising an event types › Participation in conference
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EFMC^2 Tandem Talks "Real World Use of FEP+ Calculations"
Laurence Leherte (Participant)
28 Nov 2023Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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2023 SRC Scientific Day: Photochemistry, a shining tool for scientists
Laurence Leherte (Member of Scientific Committee)
19 Oct 2023Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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Quantum electrodynamics theory and computational implementation of the hyper-Rayleigh scattering optical activity spectroscopy
Andrea Bonvicini (Speaker)
4 Sept 2023 → 9 Sept 2023Activity: Talk or presentation types › Oral presentation
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12th International Conference on Advanced Vibrational Spectroscopy (ICAVS12)
Vincent Liegeois (Contributor)
27 Aug 2023 → 1 Sept 2023Activity: Participating in or organising an event types › Participation in conference
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Ruthenium Complexes as a Test System to Unravel the Symmetry Effects on the Second-Order Nonlinear Optical Responses of Molecular Switches
Pierre Beaujean (Speaker)
28 Aug 2023Activity: Talk or presentation types › Oral presentation
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Computational implementation of the hyper-Rayleigh scattering optical activity: theory, symmetry considerations and quantum chemistry applications
Andrea Bonvicini (Invited speaker)
18 Jul 2023 → 21 Jul 2023Activity: Talk or presentation types › Invited talk
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Séminaire Résidentiel Interdisciplinaire 2023 de la Faculté des Sciences : le partage d'informations
Laurence Leherte (Organiser)
3 Apr 2023 → 4 Apr 2023Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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International Journal of Molecular Sciences (Journal)
Laurence Leherte (Peer reviewer)
14 Mar 2023Activity: Publication peer-review and editorial work types › Publication peer-review
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Current Issues in Molecular Biology (Journal)
Laurence Leherte (Peer reviewer)
29 Mar 2023Activity: Publication peer-review and editorial work types › Publication peer-review
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RSC Advances (Journal)
Laurence Leherte (Peer reviewer)
24 Mar 2023Activity: Publication peer-review and editorial work types › Publication peer-review
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Virtual Winter School on Computational Chemistry
Laurence Leherte (Participant)
6 Feb 2023 → 10 Feb 2023Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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Photochemical Relaxation Pathways of DABNA-1 and DiKTa Multiresonance TADF emitters
Danillo Valverde (Speaker)
26 Jan 2023 → 28 Jan 2023Activity: Talk or presentation types › Oral presentation
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First Principles Evaluation of the Second Harmonic Generation Response of Reference Organic and Inorganic Crystals
Francois Mairesse (Speaker), Lorenzo Maschio (Speaker) & Benoit CHAMPAGNE (Speaker)
31 Jan 2023Activity: Talk or presentation types › Oral presentation
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Antioxidants (Journal)
Laurence Leherte (Peer reviewer)
6 Dec 2022Activity: Publication peer-review and editorial work types › Publication peer-review
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Hyper-Rayleigh scattering optical activity: a computational implementation
Andrea Bonvicini (Speaker)
23 Nov 2022Activity: Talk or presentation types › Oral presentation
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2022 SRC Scientific Day
Laurence Leherte (Participant)
18 Oct 2022Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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Nanoscale (Journal)
Laurence Leherte (Peer reviewer)
13 Oct 2022Activity: Publication peer-review and editorial work types › Publication peer-review
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Biomolecules (Journal)
Laurence Leherte (Peer reviewer)
5 Oct 2022Activity: Publication peer-review and editorial work types › Publication peer-review
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Unite d'appui a la recherche (Organisational unit)
Laurence Leherte (Member)
1 Sept 2022 → …Activity: Membership types › Membership of board
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Jury de thèse intitulée "Structural characterization of chiral molecules : tool development for molecular simulations of vibrational circular dichroism spectra" de Jessica BOWLES
Benoit CHAMPAGNE (Jury Member)
28 Sept 2022Activity: Examinations › External Thesis
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Jury de thèse intitulée "Second Harmonic Generation of non-resonant Liquid : from the Molecular Response to the Experimental Measurement" de Guillaume LE BRETON
Benoit CHAMPAGNE (Jury Member)
22 Sept 2022Activity: Examinations › External Thesis
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NISM Annual Meeting 2022
Vincent Liegeois (Organiser)
6 Sept 2022Activity: Participating in or organising an event types › Participation in conference
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Sustainable agriculture: biostimulants & biopesticides
Catherine Michaux (Contributor)
20 Sept 2022 → 22 Sept 2022Activity: Participating in or organising an event types › Participation in conference
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NISM Annual Meeting 2022
Freeda Yesudas (Contributor), Catherine Michaux (Contributor) & Francesca Cecchet (Contributor)
6 Sept 2022Activity: Participating in or organising an event types › Participation in conference
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4th ISFMS—Biochemistry, Molecular Biology and Druggability of Proteins (ISFMS2022)
Catherine Michaux (Contributor)
6 Sept 2022 → 9 Sept 2022Activity: Participating in or organising an event types › Participation in conference
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19th International Conference on Density Functional Theory and its Applications (DFT 2022)
Vincent Liegeois (Participant)
28 Aug 2022 → 2 Sept 2022Activity: Participating in or organising an event types › Participation in conference
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All-Atom Quantum Mechanical Calculation of the Second Harmonic Generation of Fluorescent Proteins
Pierre Beaujean (Speaker)
29 Aug 2022Activity: Talk or presentation types › Oral presentation
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Description of chalcogen interactions in smoothed Cromer-Mann electron density distributions
Laurence Leherte (Speaker)
19 Jul 2022Activity: Talk or presentation types › Oral presentation
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Multi-State Multi-Addressable Multi-Functional Nonlinear Optical Molecular Switches - A Quantum Chemistry Perspective
Benoit CHAMPAGNE (Speaker)
4 Jul 2022 → 7 Jul 2022Activity: Talk or presentation types › Invited talk
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Second-order nonlinear optical responses of solutions of complex compounds – a multi-scale theoretical chemistry investigation
Tárcius N. Ramos (Speaker)
5 Jul 2022Activity: Talk or presentation types › Oral presentation
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Predicting and Interpreting Nonlinear Optical Responses Using Multi-Scale Approaches : Applications to Molecular Crystals and Photo-Switchable Self-Assembled Monolayers
Benoit CHAMPAGNE (Speaker)
22 Jul 2022Activity: Talk or presentation types › Invited talk
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Effets de la symétrie sur la réponse optique non linéaire du deuxième ordre d’interrupteurs moléculaires : le cas de complexes au ruthénium
Pierre Beaujean (Speaker)
29 Jun 2022Activity: Talk or presentation types › Oral presentation
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Photophysical study of mini-β-carotenes by multi-configurational theoretical methods
Andrea Bonvicini (Speaker)
27 Jun 2022 → 1 Jul 2022Activity: Talk or presentation types › Oral presentation
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17 eme Rencontre des Chimistes Théoriciens Francophones
Vincent Liegeois (Participant)
27 Jun 2022 → 1 Jul 2022Activity: Participating in or organising an event types › Participation in conference
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Influence of Various Lipid Building Blocks on the Second-Order Nonlinear Optical Responses of an Embedded Di-8-ANEPPS Probe
Charlotte Bouquiaux (Speaker) & Benoit CHAMPAGNE (Speaker)
23 Jun 2022Activity: Talk or presentation types › Invited talk
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Excited-states properties of multi-resonance TADF materials
Danillo Valverde (Speaker)
13 Jun 2022 → 16 Jun 2022Activity: Talk or presentation types › Oral presentation
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Jury de thèse intitulée "Fine-tuning Photochromic Properties of N-Sakicylideneaniline Derivatives using a Cocrystal Engineering Approach" de Gabriel MERCIER
Benoit CHAMPAGNE (Jury Member)
3 May 2022Activity: Examinations › External Thesis
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Unravelling the Effect of the Cholesterol Content on the Second-Order Nonlinear Optical Responses of Di-8-ANEPPS Embedded in Phosphatidylcholine Lipid Bilayers
Charlotte Bouquiaux (Speaker), Frédéric Castet (Speaker) & Benoit CHAMPAGNE (Speaker)
1 Apr 2022Activity: Talk or presentation types › Oral presentation
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Virtual Winter School on Computational Chemistry
Laurence Leherte (Participant)
21 Feb 2022 → 24 Feb 2022Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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Journal of Biomolecular Structure & Dynamics (Journal)
Laurence Leherte (Peer reviewer)
11 Jan 2022Activity: Publication peer-review and editorial work types › Publication peer-review
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Materials (Journal)
Laurence Leherte (Peer reviewer)
3 Jan 2022Activity: Publication peer-review and editorial work types › Publication peer-review
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Interprétation des Spectres de Génération de Fréquence Somme de Surfaces Fonctionnalisées par Méthodes Ab Initio
Benoit CHAMPAGNE (Speaker)
18 Dec 2021 → 21 Dec 2021Activity: Talk or presentation types › Invited talk
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Journal of Molecular Graphics and Modelling (Journal)
Laurence Leherte (Peer reviewer)
16 Dec 2021Activity: Publication peer-review and editorial work types › Publication peer-review
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Jury de thèse intitulée "Etude de Propriétés Physiques de Cellules Photovoltaïques à Colorants Organiques" de Mohamed Oussama ZOUAGHI
Benoit CHAMPAGNE (Jury Member)
17 Dec 2021Activity: Examinations › External Thesis
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Current trends in membrane protein biophysics
Laurence Leherte (Participant)
3 Dec 2021Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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2021 European Conference of Theoretical and Computational Chemistry.
Laurence Leherte (Participant)
18 Nov 2021 → 19 Nov 2021Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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Theoretical Design of Multi-State Multi-Addressable Multi-Functional Molecular Switches
Benoit CHAMPAGNE (Speaker)
29 Nov 2021 → 2 Dec 2021Activity: Talk or presentation types › Invited talk
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All-Atom Quantum Mechanical Calculation of the Second-Harmonic Generation of Fluorescent Proteins
Pierre Beaujean (Speaker)
19 Nov 2021Activity: Talk or presentation types › Oral presentation
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Journal of Chemical Theory and Computation (Journal)
Laurence Leherte (Peer reviewer)
22 Nov 2021Activity: Publication peer-review and editorial work types › Publication peer-review