Research output
- 3 Article
Search results
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2025
A Hybrid Scheme for Calculating Correlated and Frequency-Dependent First and Second Hyperpolarizabilities of Molecules in Solution: A Case Study on Para-Disubstituted Benzene Derivatives
Kaka, K. S., Champagne, B. & Castet, F., 18 Sept 2025, The Journal of Physical Chemistry B: Liquids; Chemical and Dynamical Processes in Solution, 129, 37, p. 9457-9468 12 p.Research output: Contribution to specialist publication › Article
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Binding Energies of Molecules Grafted onto Calcium Surfaces: A Periodic DFT Investigation
Beaujean, P. & Champagne, B., 15 May 2025, In: Journal of Physical Chemistry C: Nanomaterials and interfaces. 129, 19, p. 9189-9205 17 p.Research output: Contribution to journal › Article › peer-review
File18 Downloads (Pure) -
Novel Janus XGa-PbP (X = S, Se) monolayers: excellent photocatalysts for overall water splitting
Chaoui, K., Elaggoune, W., Henrard, L., Zanat, K. & Achehboune, M., 29 Aug 2025, In: RSC Advances. 15, 38, p. 31076-31087 12 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile2 Downloads (Pure)