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hal-01806660v1  Journal articles
Nathalie TarratMathias RapacioliFernand Spiegelman. Au 147 nanoparticles: Ordered or amorphous?
Journal of Chemical Physics, American Institute of Physics, 2018, 148 (20), pp.204308. ⟨10.1063/1.5021785⟩
hal-01755309v1  Journal articles
Nathalie TarratMagali BenoitJoseph Morillo. Core structure of screw dislocations in hcp Ti: an ab initio DFT study
International Journal of Materials Research, Carl Hanser Verlag GmbH & Co, 2009, 100 (3), pp.329 - 332. ⟨10.3139/146.110055⟩
hal-03042517v1  Journal articles
Xavier FenouilletMagali BenoitNathalie Tarrat. Methoxy radical adsorption on gold nanoparticles: a comparison with methanethiol and methylamine radicals
Adsorption - Journal of the International Adsorption Society, Springer Verlag, 2020, 26 (4), pp.579-586. ⟨10.1007/s10450-020-00232-5⟩
hal-02326835v1  Journal articles
Jean-Marc EscudierCorinne PayrastreBéatrice GerlandNathalie Tarrat. Convertible and conformationally constrained nucleic acids (C 2 NAs)
Organic and Biomolecular Chemistry, Royal Society of Chemistry, 2019, 17 (26), pp.6386-6397. ⟨10.1039/C9OB01150A⟩
hal-00952031v1  Journal articles
Nathalie TarratColin Marsden. Examining the Performance of DFT Methods in Uranium chemistry : does Core Size Matter for a Pseudopotential ?
Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (33), pp.7632-7642. ⟨10.1021/jp801124u⟩
hal-01779774v1  Journal articles
Mathias RapacioliNathalie TarratFernand Spiegelman. Melting of the Au 20 Gold Cluster: Does Charge Matter?
Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (16), pp.4092 - 4098. ⟨10.1021/acs.jpca.7b12522⟩
hal-01755341v1  Journal articles
Magali BenoitNathalie TarratJoseph Morillo. Density functional theory investigations of titanium γ -surfaces and stacking faults
Modelling and Simulation in Materials Science and Engineering, IOP Publishing, 2013, 21 (1), pp.015009. ⟨10.1088/0965-0393/21/1/015009⟩
hal-01755480v1  Journal articles
Magali BenoitNathalie TarratJoseph Morillo. Adsorption energy of small molecules on core–shell Fe@Au nanoparticles: tuning by shell thickness
Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (13), pp.9112 - 9123. ⟨10.1039/C5CP06258F⟩
hal-01426616v1  Journal articles
Miao LiuPatrizio BenzoHao TangMarion CastiellaBénédicte Warot-Fonrose et al.  Magnetism and Morphology in Faceted B2-ordered FeRh Nanoparticles
EPL - Europhysics Letters, European Physical Society/EDP Sciences/Società Italiana di Fisica/IOP Publishing, 2016, 116 (2), pp.27006