BEGUE Didier
Professor
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About
Professor Didier Begue is currently affiliated with Université de Pau et des Pays de l'Adour in France. His research spans various domains, including vibrational spectroscopy, photochemistry, and materials science, focusing on the theoretical insights and applications of novel compounds. Notable recent works include studies on vibrational operator perturbation theory, photochemical mechanisms, and the development of sensors for environmental monitoring.
Articles (15)
Year:
2025
Year:
2025
Year:
2025
Year:
2025
Year:
2024
Year:
2023
Year:
2023
In this note, we give a self-contained presentation of the POAV2 theory developed by Haddon to study the alignment of π-orbitals along a non-planar molecule. The classical POAV theory is purely geometric instead of the POAV2 which includes more physics in the computations. We compare the results obtained from the POAV2 and POAV theory. We prove that the difference between the two quantities is in most of the cases negligible. As a consequence, the POAV theory is sufficient for most of the purposes concerning the description of the local π-system of a molecule.
Year:
2023
Year:
2023
Year:
2022
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2021
Year:
2020
Year:
2020
Year:
2020
Year:
2020
Collaborators (8)
J. Cresson
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Olivier Coulaud
Inria Centre de recherche Bordeaux Sud-Ouest
Aurelien Viterisi
Lecturer
Université de Pau et des Pays de l'Adour
Roger Hiorns
CNRS
Emilie GENIN
assistant professor
University of Bordeaux
Emilio Palomares
ICREA Research Professor
Institut Català d'Investigació Química
Curt Wentrup
University of Queensland
Manabu Abe
Hiroshima University
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