Density Functional Theory Study of 1,3-Dipolar Cycloadditions Reactions

CHAMPAGNE, Benoit (PI)
Adjieufack, Abel Idrice (PI)

Project: Research

Project Details

Description

projet de recherche dans le cadre de la bourse de doctorat mixte CERUNA de Mr. Abel Idrice ADJOIEUFACK

Status	Finished
Effective start/end date	1/11/17 → 31/12/20

3 Article

Density Functional Theory Investigation of the Binding of ThioTEPA to Purine Bases: Thermodynamics and Bond Evolution Theory Analysis
Cherni, E., Adjieufack, A. I., Champagne, B., Abderrabba, M., Ayadi, S. & Liégeois, V., 21 May 2020, In: Journal of physical chemistry A. 124, 20, p. 4068-4080 13 p.
Research output: Contribution to journal › Article › peer-review
Pushing the Lewis Acidity Boundaries of Boron Compounds With Non‐Planar Triarylboranes Derived from Triptycenes
Ben Saida, A., Chardon, A., Osi, A., Tumanov, N., Wouters, J., Adjieufack, A. I., Champagne, B. & Berionni, G., 18 Nov 2019, In: Angewandte Chemie International Edition. 58, 47, p. 16889-16893 5 p.
Research output: Contribution to journal › Article › peer-review

Open Access
Intramolecular [3 + 2] Cycloaddition Reactions of Unsaturated Nitrile Oxides. A Study from the Perspective of Bond Evolution Theory (BET)
Adjieufack, A. I., Liégeois, V., Mbouombouo Ndassa, I., Ketcha Mbadcam, J. & Champagne, B., 20 Sep 2018, In: Journal of physical chemistry A. 122, 37, p. 7472-7481 10 p.
Research output: Contribution to journal › Article › peer-review

1 Active

CÉCI – Consortium of high performance computing centers
CHAMPAGNE, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.
1/01/18 → 31/12/22
Project: Research

High Performance Computing Technology Platform
Benoît Champagne (Manager)
Technological Platform High Performance Computing
Facility/equipment: Technological Platform