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

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

Project: Research

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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.
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Density functional theory investigation of the electronic and optical properties of metallo-phthalocyanine derivatives
Zouaghi, M. O., Arfaoui, Y. & Champagne, B., Oct 2021, In: Optical Materials. 120, 111315.
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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 Sept 2018, In: Journal of physical chemistry A. 122, 37, p. 7472-7481 10 p.
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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.
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Topological investigation of the reaction mechanism of glycerol carbonate decomposition by bond evolution theory
Adjieufack, A. I., Liégeois, V., Mbouombouo Ndassa, I. & Champagne, B., 9 Mar 2021, In: RSC Advances. 11, 17, p. 10083-10093 11 p.
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