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Simon D. Hallaert
Simon D. Hallaert
Student Chemie, KUL
Verified email at student.kuleuven.be
Title
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Cited by
Year
The active site of low-temperature methane hydroxylation in iron-containing zeolites
BER Snyder, P Vanelderen, ML Bols, SD Hallaert, LH Böttger, L Ungur, ...
Nature 536 (7616), 317-321, 2016
3882016
Spectroscopic identification of the α-Fe/α-O active site in Fe-CHA zeolite for the low-temperature activation of the methane C–H bond
ML Bols, SD Hallaert, BER Snyder, J Devos, D Plessers, HM Rhoda, ...
Journal of the American Chemical Society 140 (38), 12021-12032, 2018
982018
Particle on a Boron Disk: Ring Currents and Disk Aromaticity in B202–
TB Tai, RWA Havenith, JL Teunissen, AR Dok, SD Hallaert, MT Nguyen, ...
Inorganic Chemistry 52 (18), 10595-10600, 2013
552013
H 2 binding to the active site of [NiFe] hydrogenase studied by multiconfigurational and coupled-cluster methods
G Dong, QM Phung, SD Hallaert, K Pierloot, U Ryde
Physical Chemistry Chemical Physics 19 (16), 10590-10601, 2017
452017
Identification of α-Fe in high-silica zeolites on the basis of ab initio electronic structure calculations
SD Hallaert, ML Bols, P Vanelderen, RA Schoonheydt, BF Sels, K Pierloot
Inorganic chemistry 56 (17), 10681-10690, 2017
302017
Bö ttger
BER Snyder, P Vanelderen, ML Bols, SD Hallaert
LH, Ungur, L., Pierloot, K., Schoonheydt, RA, Sels, BF, and Solomon, EI, 317-321, 2016
62016
The reactive α-Fe and α-O sites in Fe-containing zeolites as a biomimetic catalyst for methane hydroxylation: a theoretical insight
S Hallaert
12019
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