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Journal of Computational Chemistry|January 9, 2009
Exploring the reactivity of framework vanadium, niobium, and tantalum sites in zeolitic materials using DFT reactivity descriptorsFrederik Tielens
Nanomaterials (Basel, Switzerland)|September 9, 2023
Special Issue "Theoretical Calculation and Molecular Modeling of Nanomaterials"Frederik Tielens
Nanomaterials (Basel, Switzerland)|March 21, 2020
Modeling of Complex Interfaces: From Surface Chemistry to Nano ChemistryJelle Vekeman, Frederik Tielens
Nanomaterials (Basel, Switzerland)|June 27, 2023
On the Origin of Raman Activity in Anatase TiO2 (Nano)Materials: An Ab Initio Investigation of Surface and Size EffectsBeata Taudul, Frederik Tielens, Monica Calatayud
Nanomaterials (Basel, Switzerland)|August 29, 2019
Understanding the Role of Rutile TiO2 Surface Orientation on Molecular Hydrogen ActivationBaohuan Wei, Frederik Tielens, Monica Calatayud
The Journal of Physical Chemistry. B|April 18, 2024
Raman Characterization of Plastics: A DFT Study of PolystyreneBeata Taudul, Frederik Tielens, Monica Calatayud
Journal of Molecular Modeling|December 14, 2005
Modeling study of the influences of the aromatic transitions and the local environment on the far-UV rotational strengths in TEM-1 beta-lactamaseChristo Christov, Frederik Tielens, Miroslav Mirazchiiski
Chemical Communications (Cambridge, England)|June 28, 2014
Ionic nanoparticle networks: development and perspectives in the landscape of ionic liquid based materialsMarie-Alexandra Neouze, Martin Kronstein, Frederik Tielens
Materials Science & Engineering. C, Materials for Biological Applications|September 13, 2020
Effect of sprayed techniques on the surface microstructure and in vitro behavior of nano-HAp coatingsYangyang Su, Kezhi Li, Frederik Tielens, et al.
Physical Chemistry Chemical Physics : PCCP|July 25, 2014
Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT studyHazar Guesmi, Robert Gryboś, Jarosław Handzlik, et al.
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