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Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach.
Chem Commun (Camb). 2013 Sep 21;49(73):8021-3. doi: 10.1039/c3cc44473b. Epub 2013 Aug 1.
Chem Commun (Camb). 2013.
PMID: 23903063
Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study.
Hendrickx K, Vanpoucke DE, Leus K, Lejaeghere K, Van Yperen-De Deyne A, Van Speybroeck V, Van Der Voort P, Hemelsoet K.
Hendrickx K, et al. Among authors: van yperen de deyne a.
Inorg Chem. 2015 Nov 16;54(22):10701-10. doi: 10.1021/acs.inorgchem.5b01593. Epub 2015 Nov 5.
Inorg Chem. 2015.
PMID: 26540517
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Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics.
Van Yperen-De Deyne A, De Meyer T, Pauwels E, Ghysels A, De Clerck K, Waroquier M, Van Speybroeck V, Hemelsoet K.
Van Yperen-De Deyne A, et al.
J Chem Phys. 2014 Apr 7;140(13):134105. doi: 10.1063/1.4869937.
J Chem Phys. 2014.
PMID: 24712778
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Accurate spin-orbit and spin-other-orbit contributions to the g-tensor for transition metal containing systems.
Van Yperen-De Deyne A, Pauwels E, Van Speybroeck V, Waroquier M.
Van Yperen-De Deyne A, et al.
Phys Chem Chem Phys. 2012 Aug 14;14(30):10690-704. doi: 10.1039/c2cp41086a. Epub 2012 Jun 28.
Phys Chem Chem Phys. 2012.
PMID: 22739473
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Assessment of periodic and cluster-in-vacuo models for first principles calculation of EPR parameters of paramagnetic defects in crystals: Rh2+ defects in NaCl as case study.
Sakhabutdinova N, Van Yperen-De Deyne A, Pauwels E, Van Speybroeck V, Vrielinck H, Callens F, Waroquier M.
Sakhabutdinova N, et al. Among authors: van yperen de deyne a.
J Phys Chem A. 2011 Mar 10;115(9):1721-33. doi: 10.1021/jp109517g. Epub 2011 Feb 7.
J Phys Chem A. 2011.
PMID: 21299236
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Automated generation of radical species in crystalline carbohydrate using ab initio MD simulations.
Aalbergsjø SG, Pauwels E, Van Yperen-De Deyne A, Van Speybroeck V, Sagstuen E.
Aalbergsjø SG, et al. Among authors: van yperen de deyne a.
Phys Chem Chem Phys. 2014 Aug 28;16(32):17196-205. doi: 10.1039/c4cp02179g.
Phys Chem Chem Phys. 2014.
PMID: 25012493
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Determining the storage, availability and reactivity of NH3 within Cu-Chabazite-based Ammonia Selective Catalytic Reduction systems.
Lezcano-Gonzalez I, Deka U, Arstad B, Van Yperen-De Deyne A, Hemelsoet K, Waroquier M, Van Speybroeck V, Weckhuysen BM, Beale AM.
Lezcano-Gonzalez I, et al. Among authors: van yperen de deyne a.
Phys Chem Chem Phys. 2014 Jan 28;16(4):1639-50. doi: 10.1039/c3cp54132k.
Phys Chem Chem Phys. 2014.
PMID: 24322601
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Dominant stable radicals in irradiated sucrose: g tensors and contribution to the powder electron paramagnetic resonance spectrum.
De Cooman H, Keysabyl J, Kusakovskij J, Van Yperen-De Deyne A, Waroquier M, Callens F, Vrielinck H.
De Cooman H, et al. Among authors: van yperen de deyne a.
J Phys Chem B. 2013 Jun 20;117(24):7169-78. doi: 10.1021/jp400053h. Epub 2013 Jun 10.
J Phys Chem B. 2013.
PMID: 23705799
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