Activities per year
Activities
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Jury de thèse intitulée “Porous silicates embedding single-sites as active catalysts in the sustainable conversion of biomass derivatives: Unveiling the role of the Brønsted/Lewis acid balance" de Amélie MAERTENS
Champagne, B. (Jury Member)
4 Sept 2024Activity: Examinations › External Thesis
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Jury de thèse intitulée “Atomistic Modelling of the Electronic Structure and Spin Conversion Processes in Triangular-Shape Organic Systems" de Gaetano RICCI
Champagne, B. (Jury Member)
24 Sept 2024Activity: Examinations › External Thesis
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Raman Optical Activity signatures of a cage system, Cryptophane-PP-111, and investigation of the solvent and encapsulation effects
D'Haese, L. (Speaker)
4 Aug 2024 → 8 Aug 2024Activity: Talk or presentation types › Oral presentation
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9th EuChemS Chemistry Congress
Leherte, L. (Speaker)
7 Jul 2024 → 11 Jul 2024Activity: Talk or presentation types › Oral presentation
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Exploration of charge-compensating correction schemes for predicting the redox potentials: application to nitroxides
Beaujean, P. (Speaker)
4 Jul 2024Activity: Talk or presentation types › Oral presentation
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Unraveling the behavior of Ca anode in B-containing salt electrolytes: a computational study
Beaujean, P. (Speaker)
9 Jul 2024Activity: Talk or presentation types › Oral presentation
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Quantum Chemical Study of a Dihydroazulene-Spiropyran Multi-State Multi-Functional Molecular Switch
DEVEAUX, N. (Speaker)
2 Jul 2024Activity: Talk or presentation types › Oral presentation
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Congress of Theoretical Chemists of Latin Expression (Chimistes Théoriciens d'Expression Latine) 2024
Beaujean, P. (Member of Organizing Committee), Bonvicini, A. (Member of Organizing Committee), Champagne, B. (Organiser), Liegeois, V. (Member of Organizing Committee), Ramos, T. N. (Member of Organizing Committee), Olivier, Y. (Organiser), HENRARD, L. (Organiser), Michaux, C. (Organiser), Adjieufack, A. I. (Member of Organizing Committee) & Pires Valverde, D. (Member of Organizing Committee)
30 Jun 2024 → 5 Jul 2024Activity: Participating in or organising an event types › Participation in conference
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Erasmus+ Course "Small molecule and protein crystallography and drug design"
Leherte, L. (Speaker)
3 Jun 2024 → 7 Jun 2024Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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Cryptophane Derivatives: Impact of surrounding effects on their Raman optical activity signatures
D'Haese, L. (Speaker)
30 Jun 2024 → 5 Jul 2024Activity: Talk or presentation types › Oral presentation
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Guest Encapsulation on Cryptophane Derivatives
D'Haese, L. (Speaker)
May 2024Activity: Talk or presentation types › Oral presentation
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Jury de thèse intitulée “Oriented external electric fields in chemistry: Development and application of new methods to simulate molecular response properties and reactivity" de Pau BESALÚ-SALA de Universitat de Girona, Spain
Champagne, B. (Jury Member)
20 May 2024Activity: Examinations › External Thesis
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Ecole de Formation Interdisciplinaire Doctorale (EFID 2024)
Leherte, L. (Organiser)
24 May 2024Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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Computational NMR study of heterogeneous aluminosilicate catalysts
Rubirigi, C. (Speaker)
24 May 2024Activity: Talk or presentation types › Oral presentation
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Jury de thèse intitulée “Investigating slow photon effect in inverse opal photonic structures for photocatalytic applications" de Thomas Lourdu MADANU
Champagne, B. (Jury Member)
13 May 2024Activity: Examinations › External Thesis
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Étude par les méthodes de la chimie quantique des acides et bases de Lewis, de leurs adduits et des paires frustrées
Champagne, B. (Invited speaker)
3 May 2024Activity: Talk or presentation types › Invited talk
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Étude par les méthodes de la chimie quantique des phénomènes de fluorescence retardée thermiquement activée (TADF) et de phosphorescence à température ambiante (RTP) chez les molécules organiques
Champagne, B. (Invited speaker)
8 May 2024Activity: Talk or presentation types › Invited talk
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Molecules (Journal)
Leherte, L. (Peer reviewer)
29 Feb 2024Activity: Publication peer-review and editorial work types › Publication peer-review
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Formation PUNCH "Comment créer des supports de cours impactants et lisibles ?"
Leherte, L. (Contributor)
29 Jan 2024Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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Raman optical activity signatures of cryptophanes derivatives
D'Haese, L. (Speaker)
29 Jan 2024Activity: Talk or presentation types › Oral presentation
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Predicting the Second-Order Nonlinear Optical Responses of Organic Materials in Complex Environments: The Role of Dynamics (on-line)
Champagne, B. (Invited speaker)
25 Jan 2024Activity: Talk or presentation types › Invited talk
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NISM Annual Meeting 2023
Liegeois, V. (Organiser)
18 Dec 2023Activity: Participating in or organising an event types › Participation in conference
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Jury de thèse intitulée “Triptycene-Derived Lewis Acid and Base Catalysts: Design, Synthesis, and Applications" de Ali BEN SAIDA
Champagne, B. (Jury Member)
19 Dec 2023Activity: Examinations › External Thesis
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EFMC^2 Tandem Talks "Real World Use of FEP+ Calculations"
Leherte, L. (Participant)
28 Nov 2023Activity: Participating in or organising an event types › Participation to a Symposium, a study Day
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Investigating the interplay between thermally-activated delayed fluorescence (TADF) and room temperature phosphorescence (RTP) of organic molecules using quantum chemistry calculations
Champagne, B. (Invited speaker)
26 Nov 2023 → 30 Nov 2023Activity: Talk or presentation types › Invited talk
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2023 SRC Scientific Day: Photochemistry, a shining tool for scientists
Leherte, L. (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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Jury de thèse intitulée “Quantum-Chemical Modelling of the Photocatalytic Response of Functionalized 2D Carbon Nitride Materials" de Eduardo RACITI de Università Degli Studi Di Trieste
Champagne, B. (Jury Member)
6 Oct 2023Activity: Examinations › External Thesis
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Jury de thèse intitulée “Multi-scale theoretical investigation of the linear and nonlinear optical responses of di-8-ANEPPS embedded in complex environments: on the way to explore the complexity of cell membranes" de Charlotte BOUQUIAUX
Champagne, B. (Supervisor)
10 Oct 2023Activity: Examinations › External Thesis
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Quantum electrodynamics theory and computational implementation of the hyper-Rayleigh scattering optical activity spectroscopy
Bonvicini, A. (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)
Liegeois, V. (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
Beaujean, P. (Speaker)
28 Aug 2023Activity: Talk or presentation types › Oral presentation
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La Chimie Théorique. Qu’est-ce?
Champagne, B. (Speaker)
24 Aug 2023Activity: Talk or presentation types › Invited talk
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Predicting the Second-Order Nonlinear Optical Responses of Organic Materials in Complex Environments: The Role of Dynamics
Champagne, B. (Invited speaker)
27 Aug 2023 → 31 Aug 2023Activity: Talk or presentation types › Invited talk
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Computational implementation of the hyper-Rayleigh scattering optical activity: theory, symmetry considerations and quantum chemistry applications
Bonvicini, A. (Invited speaker)
18 Jul 2023 → 21 Jul 2023Activity: Talk or presentation types › Invited talk
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Jury de thèse intitulée “Investigation of the Complex Interplay between Excited States and the Resulting Emission Mechanisms in Organic Donor-Acceptor Chromophores" de Simon PAREDIS de Université de Hasselt
Champagne, B. (Jury Member)
6 Jun 2023Activity: Examinations › External Thesis
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Jury de thèse intitulée “Phosphatriptycenes: from quantum chemical investigations to applications in main group and frustrated Lewis pair chemistry" de Damien MAHAUT
Champagne, B. (Co-Supervisor)
22 Jun 2023Activity: Examinations › External Thesis
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From Rayleigh-Schrödinger perturbation theory to the sum-over-state methods - calculating the molecular hyperpolarizabilities
Champagne, B. (Invited speaker)
28 May 2023 → 1 Jun 2023Activity: Talk or presentation types › Invited talk
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Walk of a theoretical chemist in the field of nonlinear optics
Champagne, B. (Invited speaker)
22 May 2023Activity: Talk or presentation types › Invited talk
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Séminaire Résidentiel Interdisciplinaire 2023 de la Faculté des Sciences : le partage d'informations
Leherte, L. (Organiser)
3 Apr 2023 → 4 Apr 2023Activity: Participating in or organising an event types › Participation in workshop, seminar, course
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A journey in the field of organic light-emitting molecules. Design and quantum chemistry calculations within a multidisciplinary approach
Champagne, B. (Invited speaker)
4 Apr 2023Activity: Talk or presentation types › Invited talk
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Current Issues in Molecular Biology (Journal)
Leherte, L. (Peer reviewer)
29 Mar 2023Activity: Publication peer-review and editorial work types › Publication peer-review
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RSC Advances (Journal)
Leherte, L. (Peer reviewer)
24 Mar 2023Activity: Publication peer-review and editorial work types › Publication peer-review
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Jury de thèse intitulée "Elaboration de nouveaux interrupteurs moléculaires à base de benzazolo-oxazolidine pour le visible" de Augustin AYOUB de Université de Angers
Champagne, B. (Jury Member)
3 Mar 2023Activity: Examinations › External Thesis
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International Journal of Molecular Sciences (Journal)
Leherte, L. (Peer reviewer)
14 Mar 2023Activity: Publication peer-review and editorial work types › Publication peer-review
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Virtual Winter School on Computational Chemistry
Leherte, L. (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
Valverde, D. (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
Mairesse, F. (Speaker), Maschio, L. (Speaker) & CHAMPAGNE, B. (Speaker)
31 Jan 2023Activity: Talk or presentation types › Oral presentation
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Jury de thèse intitulée "Inverse design on molecules in solar cells" de ChengCheng FAN de Universität des Saarlandes, Saarbrücken
Champagne, B. (Jury Member)
8 Dec 2022Activity: Examinations › External Thesis
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Antioxidants (Journal)
Leherte, L. (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
Bonvicini, A. (Speaker)
23 Nov 2022Activity: Talk or presentation types › Oral presentation