Publications
Design and synthesis of the novel oleanolic acid-cinnamic acid ester derivatives and glycyrrhetinic acid-cinnamic acid ester derivatives with cytotoxic properties KU Leuven
Amino acid derivatives. Part 6. Synthesis, in vitro antiviral activity and molecular docking study of new N-alpha-amino acid derivatives conjugated spacer phthalimide backbone KU Leuven
Early time points perfusion imaging: Relative time of arrival, maximum derivatives and fractional derivatives KU Leuven
Amino acid derivatives. Part 5. Synthesis and anti-HIV activity of new sebacoyl precursor derived thioureido-amino acid and phthalimide derivatives KU Leuven
Synthesis of U+03B3,U+03B4-aziridino U+03B1-amino acid derivatives and their stereoselective ring transformation to 2-(aminomethyl)-1-aminocyclopropanecarboxylic acid derivatives Ghent University University of Antwerp
Exploring chemical space with alchemical derivatives University of Antwerp Vrije Universiteit Brussel
Analogies between Density Functional Theory Response Kernels and Derivatives of Thermodynamic State Functions Vrije Universiteit Brussel
In view of its use as reactivity theory, Conceptual Density Functional Theory (DFT), introduced by Parr et al., has mainly concentrated up to now on the E = E[N, v] functional. However, different ensemble representations can be used involving other variables also, such as ρ and µ. In this study, these different ensemble representations (E, Ω, F, and R) are briefly reviewed. Particular attention is then given to the corresponding second-order ...
1,2,3-Benzotriazole derivatives adsorption on Cu(1 1 1) surface Vrije Universiteit Brussel
In the context of copper corrosion passivation, the adsorption of benzotriazole (BTAH) and its derivatives: 5-Methyl, 5-Amine, 1-Amine, 1-Methyl on a Cu(1 1 1) surface was investigated using periodic density functional (DFT) calculations. The results were contrasted with experimental ASTM protocols. Adsorption of BTAH and radical (BTA●) forms, as well as solvent effect were evaluated. The Cu-N interaction provides stable complexes with ...