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Identification of vanadium dopant sites in the metal-organic framework DUT-5(Al).
Maes K , Martin LIDJ , Khelifi S , Hoffman A , Leus K , Van Der Voort P , Goovaerts E , Smet PF , Van Speybroeck V , Callens F , Vrielinck H . Maes K , et al. Among authors: callens f. Phys Chem Chem Phys. 2021 Mar 28;23(12):7088-7100. doi: 10.1039/d1cp00695a. Epub 2021 Mar 19. Phys Chem Chem Phys. 2021. PMID: 33876075
ENDOR and HYSCORE analysis and DFT-assisted identification of the third major stable radical in sucrose single crystals X-irradiated at room temperature.
De Cooman H, Pauwels E, Vrielinck H, Sagstuen E, Van Doorslaer S, Callens F, Waroquier M. De Cooman H, et al. Among authors: callens f. Phys Chem Chem Phys. 2009 Feb 21;11(7):1105-14. doi: 10.1039/b816641b. Epub 2009 Jan 13. Phys Chem Chem Phys. 2009. PMID: 19543609
Recently, the chemical structure of two of the three major stable radicals (T2 and T3) produced in sucrose single crystals by X-irradiation at room temperature was identified by comparing Density Functional Theory (DFT) calculations of Electron Magnetic Resonance parameters with …
Recently, the chemical structure of two of the three major stable radicals (T2 and T3) produced in sucrose single crystals by X-irradiation …
Electron magnetic resonance and density functional theory study of room temperature X-irradiated β-D-fructose single crystals.
Tarpan MA, Pauwels E, Vrielinck H, Waroquier M, Callens F. Tarpan MA, et al. Among authors: callens f. J Phys Chem A. 2010 Dec 2;114(47):12417-26. doi: 10.1021/jp107777v. Epub 2010 Nov 4. J Phys Chem A. 2010. PMID: 21049978
Two of the radicals (F1 and F2) were studied previously by Vanhaelewyn et al. [Vanhaelewyn, G. C. A. M.; Pauwels, E.; Callens, F. J.; Waroquier, M.; Sagstuen, E.; Matthys, P. J. Phys. ...A 2006, 110, 2147.] and Tarpan et al. [Tarpan, M. A.; Vrielinck, H.; De Cooman, …
Two of the radicals (F1 and F2) were studied previously by Vanhaelewyn et al. [Vanhaelewyn, G. C. A. M.; Pauwels, E.; Callens, F …
72 results