Computational Tools to Rationalize and Predict the Self-Assembly Behavior of Supramolecular Gels

por Van Lommel, Ruben, De Borggraeve, Wim M., De Proft, Frank, Alonso, Mercedes
Publicado 2021

Modulation of Metal Carbonyl Stretching Frequencies in the Second Coordination Sphere through the Internal Stark Effect

por Parker, Gemma L., Van Lommel, Ruben, Roig, Nil, Alonso, Mercedes, Chaplin, Adrian B.
Publicado 2022

A dynamic picture of the halolactonization reaction through a combination of ab initio metadynamics and experimental investigations

por Van Lommel, Ruben, Bock, Jonathan, Daniliuc, Constantin G., Hennecke, Ulrich, De Proft, Frank
Publicado 2021

A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones

por Deraet, Xavier, Woller, Tatiana, Van Lommel, Ruben, De Proft, Frank, Verniest, Guido, Alonso, Mercedes
Publicado 2019

A Quantum Chemical Deep-Dive into the π-π Interactions of 3-Methylindole and Its Halogenated Derivatives—Towards an Improved Ligand Design and Tryptophan Stacking

por Van Lommel, Ruben, Bettens, Tom, Barlow, Thomas M. A., Bertouille, Jolien, Ballet, Steven, De Proft, Frank
Publicado 2022

SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates

por Li, Bing-Yu, Voets, Lauren, Van Lommel, Ruben, Hoppenbrouwers, Fien, Alonso, Mercedes, Verhelst, Steven H. L., De Borggraeve, Wim M., Demaerel, Joachim
Publicado 2022

Correction: SuFEx-enabled, chemoselective synthesis of triflates, triflamides and triflimidates

por Li, Bing-Yu, Voets, Lauren, Van Lommel, Ruben, Hoppenbrouwers, Fien, Alonso, Mercedes, Verhelst, Steven H. L., De Borggraeve, Wim M., Demaerel, Joachim
Publicado 2022

Does Supramolecular Gelation Require an External Trigger?

por Van Lommel, Ruben, Van Hooste, Julie, Vandaele, Johannes, Steurs, Gert, Van der Donck, Tom, De Proft, Frank, Rocha, Susana, Sakellariou, Dimitrios, Alonso, Mercedes, De Borggraeve, Wim M.
Publicado 2022