2023
L. Vermeersch, F. De Proft, V. Faulkner, F. De Vleeschouwer, Unravelling the mechanism and governing factors in Lewis acid and non-covalent Diels–Alder catalysis: Different perspectives, Int. J. Mol. Sci. 2023, 24, 4938. doi:10.3390/ijms24054938
I. Casademont-Reig, T. Woller, V. García, J. Contreras-García, M. Torrent-Sucarrat, W. Tiznado, E. Matito, M. Alonso, Quest for the most aromatic pathway in charged expanded porphyrins, Chem. Eur. J. 2023, 29, e202202264. doi:10.1002/chem.202202264
M. Novak, J. Turek, Y. Milasheuskaya, M. Sykova, L. Dostal, J. Stalmans, Z. Ruzickova, K. Jurkschat, R. Jambor, Tin(II) cations stabilized by non-symmetric N,N′,O-chelating ligands: synthesis and stability, Dalton Trans. 2023, 52, 2749-2761. doi:10.1039/D2DT03563D
X. Deraet, J. Turek, M. Alonso, F. Tielens, B.M. Weckhuysen, M. Calatayud, F. De Proft, Understanding the reactivity of supported late transition metals on a mare anatase (101) surface: A periodic conceptual DFT investigation, ChemPhysChem 2023, 24, e202200785. doi:10.1002/cphc.202200785
P. Geerlings, F. De Proft, External fields in conceptual density functional theory, J. Comput. Chem. 2023, 44, 442-455. doi:10.1002/jcc.26978
A. Moussadik, N. Lazar, D. Mazkad, F.S. Brigiano, K. Baert, T. Hauffman, A. Benzaouak, Y. Abrouki, M. Kacimi, F. Tielens, M. Halim, A. El Hamidi, Investigation of electronic and photocatalytic properties of AgTi2(PO4)3 NASICON-type phosphate: Combining experimental data and DFT calculations, J. Photochem. Photobiol. A 2023, 435, 114289. doi:10.1016/j.jphotochem.2022.114289