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Boron-doped diamond: Investigation of the stability of surface-doping versus bulk-doping using cyclic cluster model calculations.
J Comput Chem. 2008 Oct;29(13):2295-301. doi: 10.1002/jcc.20997.
J Comput Chem. 2008.
PMID: 18478585
Implementation of empirical dispersion corrections to density functional theory for periodic systems.
Reckien W, Janetzko F, Peintinger MF, Bredow T.
Reckien W, et al. Among authors: janetzko f.
J Comput Chem. 2012 Sep 30;33(25):2023-31. doi: 10.1002/jcc.23037. Epub 2012 Jun 8.
J Comput Chem. 2012.
PMID: 22684689
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Parallelization of the deMon2k code.
Geudtner G, Janetzko F, Köster AM, Vela A, Calaminici P.
Geudtner G, et al. Among authors: janetzko f.
J Comput Chem. 2006 Mar;27(4):483-90. doi: 10.1002/jcc.20361.
J Comput Chem. 2006.
PMID: 16435308
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Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods.
Janetzko F, Köster AM, Salahub DR.
Janetzko F, et al.
J Chem Phys. 2008 Jan 14;128(2):024102. doi: 10.1063/1.2817582.
J Chem Phys. 2008.
PMID: 18205438
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A MinMax self-consistent-field approach for auxiliary density functional theory.
Köster AM, Del Campo JM, Janetzko F, Zuniga-Gutierrez B.
Köster AM, et al. Among authors: janetzko f.
J Chem Phys. 2009 Mar 21;130(11):114106. doi: 10.1063/1.3080618.
J Chem Phys. 2009.
PMID: 19317530
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Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems.
Calaminici P, Janetzko F, Köster AM, Mejia-Olvera R, Zuniga-Gutierrez B.
Calaminici P, et al. Among authors: janetzko f.
J Chem Phys. 2007 Jan 28;126(4):044108. doi: 10.1063/1.2431643.
J Chem Phys. 2007.
PMID: 17286463
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