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 date1/11/1731/12/20

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 journalArticle

  • 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 journalArticle

  • Projects

    CÉCI – Consortium of high performance computing centers

    CHAMPAGNE, B., Lazzaroni, R., Geuzaine , C., Chatelain, P. & Knaepen, B.

    1/01/1831/12/22

    Project: Research

    Equipment