Projects per year
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Projects
- 1 Finished
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Elaboration de méthodes de chimie quantique pour prédire et interpreter les spectres vibrationnels de molécules à l’état excité
LOUANT, O. (PI), CHAMPAGNE, B. (Supervisor) & Liégeois, V. (Supervisor)
1/10/14 → 30/09/18
Project: PHD
Research output
- 5 Article
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Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study
Louant, O., Champagne, B. & Liégeois, V., 1 Feb 2018, In: The Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 122, 4, p. 972-984 13 p., DOI: 10.1021/acs.jpca.7b10881.Research output: Contribution to journal › Article › peer-review
Open AccessFile144 Downloads (Pure) -
Predicting Keto–Enol Equilibrium from Combining UV/Visible Absorption Spectroscopy with Quantum Chemical Calculations of Vibronic Structures for Many Excited States: A Case Study on Salicylideneanilines
Zutterman, F., Louant, O., Mercier, G., Leyssens, T. & Champagne, B., 21 Jun 2018, In: The Journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory. 122, 24, p. 5370-5374 5 p.Research output: Contribution to journal › Article › peer-review
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Faraday Effect in Stacks of Aromatic Molecules
Louant, O., Liégeois, V., Verbiest, T., Persoons, A. & Champagne, B., 5 Jul 2017, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 121, 28, p. 15348-15352 5 p.Research output: Contribution to journal › Article › peer-review
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Analytic calculations of anharmonic infrared and Raman vibrational spectra
Cornaton, Y., Ringholm, M., Louant, O. & Ruud, K., 2016, In: PCCP : Physical Chemistry Chemical Physics. 18, 5, p. 4201-4215 15 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile135 Downloads (Pure) -
Numerical differentiation method to calculate molecular properties at ground and excited states - Application to Julolidinemalononitrile
Louant, O., Champagne, B. & Liégeois, V., 29 Jun 2015, In: Chemical Physics Letters. 634, p. 249-254 6 p.Research output: Contribution to journal › Article › peer-review
8 Downloads (Pure)
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10th CECI Scientific Meeting
Louant, O. (Participant) & Quertinmont, J. (Participant)
4 May 2018Activity: Participating in or organising an event types › Participation in conference
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NanoWal Day
Louant, O. (Participant), Beaujean, P. (Poster), Pielak, K. (Poster), Seelam, R. R. (Contributor), Quertinmont, J. (Participant) & Tetsassi Feugmo, C. G. (Participant)
25 May 2018Activity: Participating in or organising an event types › Participation in conference
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11th European Conference on Theoretical and Computational Chemistry
Louant, O. (Poster)
4 Sept 2017 → 7 Sept 2017Activity: Participating in or organising an event types › Participation in conference
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BPG Annual Meeting 2017
Louant, O. (Contributor)
4 May 2017 → 5 May 2017Activity: Participating in or organising an event types › Participation in conference
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9th CECI Scientific Meeting
Louant, O. (Participant)
21 Apr 2017Activity: Participating in or organising an event types › Participation in conference
Thesis
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Mise au point d’une méthode quanto-chimique pour simuler et interpréter les spectres vibrationnels de molécules à l’état excité
Louant, O. (Author), Champagne, B. (Jury), 2014Student thesis: Master types › Master in Chemistry