Welcome to the website of the General Chemistry (ALGC: “Algemene Chemie”) in the Department of Chemistry of the Faculty of Sciences and Bio-engineering Sciences at Vrije Universiteit Brussel (VUB).
The research activities of the group are situated in the field of theoretical and quantum chemistry and more specifically focus on the combination of conceptual and computational state-of-the-art approaches in the understanding, prediction and design of molecular and material properties and reactivity.
The group is composed of two subgroups: the Chemical Theory Group, directed by Frank De Proft and the Materials Modelling Group, directed by Frederik Tielens. Activities in the De Proft group focus mainly on Conceptual Density Functional Theory, molecular conductivity, single-molecule switches, aromaticity, main-group catalysis, inverse molecular design and chemical reactivity in solution. The Tielens group focuses on materials modeling, characterizing inorganic, organic and biological solid materials at the atomic level, especially at the interphases, requiring high level multiscale approaches.
Frank De Proft
Head of the ALGC research group
- Bin's latest research has just been published in Inorganic Chemistry. Check out the paper titled "Mechanistic study and conceptual chemical reactivity analysis of hydroboration of carbon dioxide catalyzed by a manganese(I)-PNP-pincer complex" to learn more.
- Eline's work on hexaphyrins just got published in PCCP! Read her paper titled: "Designing hexaphyrins for high-potential NLO switches: The synergy of core-modiﬁcations and meso-substitutions" here.
- Chemistry – A European Journal selected Irene's article for the cover feature of issue 6! Don't forget to check out the article here.
- Practical info-
Prof. Dr. Christel Gervais from Sorbonne Université (France) will present a research seminar titled: "Probing local environments in materials by combining NMR and DFT calculations".
- Practical info-
Prof. Dr. Fernanda Duarte from the University of Oxford (UK) will present a research seminar titled: "Exploring reaction mechanisms through automation and machine learning".