Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel (VUB), Pleinlaan 2, 1050, Brussels, Belgium.
Department of Chemistry, KU Leuven, Molecular Design and Synthesis, Celestijnenlaan 200F Leuven Chem&Tech box 2404, 3001, Leuven, Belgium.
Chempluschem. 2020 Feb;85(2):266. doi: 10.1002/cplu.201900686. Epub 2019 Dec 18.
Invited for this month's cover is the Quantum Chemistry group (ALGC) of the Free University of Brussels (VUB) in collaboration with the Molecular Design and Synthesis (MolDesignS) group of the KU Leuven. The image shows how a variety of computational techniques, such as density functional theory, molecular dynamics, and the noncovalent interaction index, can be used to virtually zoom in on the noncovalent interactions that are key for the supramolecular hydrogelation of bis-urea-based gelators. Read the full text of the article at 10.1002/cplu.201900551.
本月的封面邀请到了布鲁塞尔自由大学（VUB）的量子化学小组（ALGC）与鲁汶大学的分子设计和合成（MolDesignS）小组合作完成。该图片展示了如何使用各种计算技术，如密度泛函理论、分子动力学和非共价相互作用指数，来虚拟放大双脲基凝胶剂的超分子水凝胶化的关键非共价相互作用。全文阅读请访问 10.1002/cplu.201900551。
