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2019 | 1 |
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Page 1
Thermodynamic assessment of the Co-Ta system.
CALPHAD. 2019;64:10.1016/j.calphad.2018.12.002. doi: 10.1016/j.calphad.2018.12.002.
CALPHAD. 2019.
PMID: 31579349
Free PMC article.
Prediction of vibrational frequencies of possible intermediates and side products of the methanol synthesis on ZnO(0001) by ab initio calculations.
Kossmann J, Rossmüller G, Hättig C.
Kossmann J, et al.
J Chem Phys. 2012 Jan 21;136(3):034706. doi: 10.1063/1.3671450.
J Chem Phys. 2012.
PMID: 22280776
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Investigation of interstitial hydrogen and related defects in ZnO.
Koßmann J, Hättig C.
Koßmann J, et al.
Phys Chem Chem Phys. 2012 Dec 21;14(47):16392-9. doi: 10.1039/c2cp42928d. Epub 2012 Nov 6.
Phys Chem Chem Phys. 2012.
PMID: 23132597
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Auxiliary basis sets for density-fitted correlated wavefunction calculations: weighted core-valence and ECP basis sets for post-d elements.
Hättig C, Schmitz G, Kossmann J.
Hättig C, et al. Among authors: kossmann j.
Phys Chem Chem Phys. 2012 May 14;14(18):6549-55. doi: 10.1039/c2cp40400a. Epub 2012 Mar 28.
Phys Chem Chem Phys. 2012.
PMID: 22456716
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