Publications

Recent A1 Articles Published online

Chlorination of a Zeolitic-Imidazolate Framework Tunes Packing and Van der Waals Interaction of Carbon Dioxide for Optimised Adsorptive Separation , L.H. Wee, S. Vandenbrande, S.M.J. Rogge, J. Wieme, K. Asselman, E. Jardim, J. Silvestre-Albero, J. Navarro, V. Van Speybroeck, J.A. Martens, C. Kirschhock , JACS (Journal of the American Chemical Society) , Published online , 2021 , IF: 14.612 , 13/177 [Q1]

Most recent A1 Publications

2021

Quantifying the likelihood of structural models through a dynamically enhanced powder X‐ray diffraction protocol , S. Borgmans, S.M.J. Rogge, J. De Vos, C.V. Stevens, P. Van der Voort, V. Van Speybroeck , Angewandte Chemie int. Ed. , 60 (16), 8913-8922 , 2021 , IF: 12.959 , 15/177 [Q1]
Texture Formation in Polycrystalline Thin Films of All-Inorganic Lead Halide Perovskite , J.A. Steele, E. Solano, H. Jin, V. Prakasam, T. Braeckevelt, H. Yuan, Z. Lin, R. de Kloe, Q. Wang, S.M.J. Rogge, V. Van Speybroeck, D. Chernyshov, J. Hofkens, M. Roeffaers , Advanced Materials , 33 (13), 2007224 , 2021 , IF: 27.398 , 3/155 [Q1]
A comparative study on the photophysical properties of anthocyanins and pyranoanthocyanins , K.T. Phan, S. De Meester, K. Raes, K. De Clerck, V. Van Speybroeck , Chemistry - A European Journal , 27 (19), 5956-5971 , 2021 , IF: 4.857 , 44/177 [Q1]

Most recent talks

Talk
Operando Raman spectroscopy to pinpoint the onset of deactivation in zeolites , A.E.J. Hoffman, I. Lezcano-Gonzalez, E. Campbell, M. Bocus, I.V. Sazanovich, M. Towrie, A.M. Beale, V. Van Speybroeck , The Netherlands' Catalysis and Chemistry Conference , online , ma, 01/03/2021
Invited talk
Ruling the free world - and other things computational chemistry can help you with , S.M.J. Rogge , JungChemikerForum Dortmund, Gesellschaft Deutscher Chemiker , online , ma, 07/12/2020
Talk
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks , S.M.J. Rogge , Faraday Discussion on Cooperative Phenomena in Framework Materials , online , do, 15/10/2020

Most recent conference posters

Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol , S. Borgmans, S.M.J. Rogge, V. Van Speybroeck , Faraday Discussions , Online , di, 13/10/2020 t/m vr, 16/10/2020
Ab initio modeling of the zeolite-catalyzed conversion of alkylphenols into phenol and olefins , M. Bocus, J. Hajek, Y. Liao, B. F. Sels, V. Van Speybroeck , MolSim 2020 , Amsterdam, The Nederlands , ma, 06/01/2020 t/m vr, 17/01/2020
Construction of a Ready-To-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks , J. De Vos, S. Borgmans, S.M.J. Rogge, R. Demuynck, P. Van der Voort, V. Van Speybroeck , MolSim 2020 , Amsterdam, The Netherlands , ma, 06/01/2020 t/m vr, 17/01/2020