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Journal of Chemical Theory and Computation|March 14, 2024
Three-Center Tight-Binding Together with Multipolar Auxiliary FunctionsMaxime Van den BosscheJournal of the American Chemical Society|September 3, 2015
Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic ModelingMaxime Van den Bossche, Henrik GrönbeckNanoscale|March 6, 2020
Understanding the structural diversity of freestanding Al2O3 ultrathin films through a DFTB-aided genetic algorithmMaxime Van den Bossche, Claudine Noguera, Jacek GoniakowskiJournal of Chemical Theory and Computation|March 29, 2018
Tight-Binding Approximation-Enhanced Global OptimizationMaxime Van den Bossche, Henrik Grönbeck, Bjørk HammerNanoscale|November 19, 2021
Structural characteristics of Al2O3 ultra-thin films supported on the NiAl(100) substrate from DFTB-aided global optimizationMaxime Van den Bossche, Jacek Goniakowski, Claudine NogueraChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 6, 2017
A Chemical View on X-ray Photoelectron Spectroscopy: the ESCA Molecule and Surface-to-Bulk XPS ShiftsFrancisco A Delesma, Maxime Van den Bossche, Henrik Grönbeck, et al.Pageof 1