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

Project: Research

Project Details

Description

projet de recherche dans le cadre de la bourse de doctorat mixte CERUNA de Mr. Abel Idrice ADJOIEUFACK
StatusActive
Effective start/end date1/11/17 → 31/12/20
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Research Output

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

    • 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

    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

    • Projects

    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

    Equipment

    High Performance Computing Technology Platform

    Benoît Champagne (Manager)

    Technological Platform High Performance Computing

    Facility/equipment: Technological Platform