Van Yperen-De Deyne A - Search Results

1

Mn-salen@MIL101(Al): a heterogeneous, enantioselective catalyst synthesized using a 'bottle around the ship' approach.

Bogaerts T, Van Yperen-De Deyne A, Liu YY, Lynen F, Van Speybroeck V, Van Der Voort P. Bogaerts T, et al. Among authors: van yperen de deyne a. Chem Commun (Camb). 2013 Sep 21;49(73):8021-3. doi: 10.1039/c3cc44473b. Epub 2013 Aug 1. Chem Commun (Camb). 2013. PMID: 23903063

2

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

3

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

4

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

5

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

6

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

7

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

8

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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