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Stevens, F., Vrielinck, H., Callens, F., Pauwels, E., Waroquier, M. (2003) Ab initioinvestigation of electron paramagnetic resonance parameters ofS2−,SSe−,andSe2−radicals in alkali halides. Physical Review B, 67 (10) doi:10.1103/physrevb.67.104429

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Reference TypeJournal (article/letter/editorial)
TitleAb initioinvestigation of electron paramagnetic resonance parameters ofS2−,SSe−,andSe2−radicals in alkali halides
JournalPhysical Review B
AuthorsStevens, F.Author
Vrielinck, H.Author
Callens, F.Author
Pauwels, E.Author
Waroquier, M.Author
Year2003 (March 31)Volume67
Issue10
PublisherAmerican Physical Society (APS)
DOIdoi:10.1103/physrevb.67.104429Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID14166114Long-form Identifiermindat:1:5:14166114:0
GUID0
Full ReferenceStevens, F., Vrielinck, H., Callens, F., Pauwels, E., Waroquier, M. (2003) Ab initioinvestigation of electron paramagnetic resonance parameters ofS2−,SSe−,andSe2−radicals in alkali halides. Physical Review B, 67 (10) doi:10.1103/physrevb.67.104429
Plain TextStevens, F., Vrielinck, H., Callens, F., Pauwels, E., Waroquier, M. (2003) Ab initioinvestigation of electron paramagnetic resonance parameters ofS2−,SSe−,andSe2−radicals in alkali halides. Physical Review B, 67 (10) doi:10.1103/physrevb.67.104429
In(2003, March) Physical Review B Vol. 67 (10) American Physical Society (APS)

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Stevens, F., Vrielinck, H., Callens, F., Pauwels, E., Waroquier, M. (2002) Density-functional study ofS2−defects in alkali halides. Physical Review B, 66 (13) doi:10.1103/physrevb.66.134103
Stevens, F., Vrielinck, H., Van Speybroeck, V., Pauwels, E., Callens, F., Waroquier, M. (2006) X-(X = O, S) Ions in Alkali Halide Lattices through Density Functional Calculations. 1. Substitutional Defect Models. The Journal of Physical Chemistry B, 110 (16). 8204-8212 doi:10.1021/jp057008l
Van Speybroeck, V., Stevens, F., Pauwels, E., Vrielinck, H., Callens, F., Waroquier, M. (2006) X-(X = O, S, Se) Ions in Alkali Halide Lattices through Density Functional Calculations. 2. Interstitial Defect Models. The Journal of Physical Chemistry B, 110 (16). 8213-8218 doi:10.1021/jp057010c
De Cooman, H., Pauwels, E., Vrielinck, H., Sagstuen, E., Callens, F., Waroquier, M. (2008) Identification and Conformational Study of Stable Radiation-Induced Defects in Sucrose Single Crystals using Density Functional Theory Calculations of Electron Magnetic Resonance Parameters. The Journal of Physical Chemistry B, 112 (24). 7298-7307 doi:10.1021/jp712004g
Vrielinck, H., Loncke, F., Callens, F., Matthys, P., Khaidukov, N. M. (2004) Identification ofCr3+centers inCs2NaAlF6andCs2NaGaF6crystals by EPR and ENDOR paramagnetic resonance techniques. Physical Review B, 70 (14) doi:10.1103/physrevb.70.144111
Vrielinck, H., Zverev, D. G., Leblans, P., Tahon, J. P., Matthys, P., Callens, F. (2012) Electron paramagnetic resonance study of Eu2+centers in melt-grown CsBr single crystals. Physical Review B, 85 (14) doi:10.1103/physrevb.85.144119
Vannotti, L. E., Morton, J. R. (1967) Paramagnetic-Resonance Spectra ofS2−in Alkali Halides. Physical Review, 161 (2). 282-286 doi:10.1103/physrev.161.282
Sakhabutdinova, N., Van Yperen-De Deyne, A., Pauwels, E., Van Speybroeck, V., Vrielinck, H., Callens, F., Waroquier, M. (2011) 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. The Journal of Physical Chemistry A, 115 (9). 1721-1733 doi:10.1021/jp109517g
Loncke, F., Zverev, D., Vrielinck, H., Khaidukov, N. M., Matthys, P., Callens, F. (2007) K2YF5crystal symmetry determined by using rare-earth ions as paramagnetic probes. Physical Review B, 75 (14) doi:10.1103/physrevb.75.144427
Vrielinck, H., Callens, F., Matthys, P. (2001) Q-band electron nuclear double-resonance detection of the cation vacancies near thecis−[RhCl6]4−⋅2Vaccomplex in NaCl. Physical Review B, 64 (21) doi:10.1103/physrevb.64.214105
De Cooman, H., Pauwels, E., Vrielinck, H., Dimitrova, A., Yordanov, N., Sagstuen, E., Waroquier, M., Callens, F. (2008) Radiation-induced defects in sucrose single crystals, revisited: A combined electron magnetic resonance and density functional theory study. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 69 (5) 1372-1383 doi:10.1016/j.saa.2007.09.033
 
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