Szieberth, Dénes, Ferrari, Anna Maria, D'Arco, Philippe, Orlando, Roberto (2011) Ab initio modeling of trititanate nanotubes. Nanoscale, 3. 1113pp. doi:10.1039/c0nr00529k

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Reference Type	Journal (article/letter/editorial)
Title	Ab initio modeling of trititanate nanotubes
Journal	Nanoscale
Authors	Szieberth, Dénes		Author
	Ferrari, Anna Maria		Author
	D'Arco, Philippe		Author
	Orlando, Roberto		Author
Year	2011	Volume	3
Publisher	Royal Society of Chemistry (RSC)
DOI	doi:10.1039/c0nr00529kSearch in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	4354651	Long-form Identifier	mindat:1:5:4354651:2
GUID	0
Full Reference	Szieberth, Dénes, Ferrari, Anna Maria, D'Arco, Philippe, Orlando, Roberto (2011) Ab initio modeling of trititanate nanotubes. Nanoscale, 3. 1113pp. doi:10.1039/c0nr00529k
Plain Text	Szieberth, Dénes, Ferrari, Anna Maria, D'Arco, Philippe, Orlando, Roberto (2011) Ab initio modeling of trititanate nanotubes. Nanoscale, 3. 1113pp. doi:10.1039/c0nr00529k
In	(2011) Nanoscale Vol. 3. Royal Society of Chemistry (RSC)

	*Szieberth, Dénes, Ferrari, Anna Maria, Noel, Yves, Ferrabone, Matteo (2010) Ab initio modeling of TiO2 nanotubes. Nanoscale, 2. 81-89 doi:10.1039/b9nr00214f*
	*Ferrari, Anna Maria, Szieberth, Dénes, Noel, Yves (2011) DFT modeling of anatase nanotubes. Journal of Materials Chemistry, 21. 4568pp. doi:10.1039/c0jm03257c*
	Szieberth, Dénes, Maria Ferrari, Anna, Dong, Xin (2010) Adsorption of glycine on the anatase (101) surface: an ab initio study. Physical Chemistry Chemical Physics, 12 (36). 11033pp. doi:10.1039/c004155f
	Demichelis, Raffaella, Noël, Yves, D'Arco, Philippe, Maschio, Lorenzo, Orlando, Roberto, Dovesi, Roberto (2010) Structure and energetics of imogolite: a quantum mechanical ab initio study with B3LYP hybrid functional. Journal of Materials Chemistry, 20. 10417pp. doi:10.1039/c0jm00771d
	Ferrari, Anna Maria, Szieberth, Dénes, Zicovich-Wilson, Claudio M., Demichelis, Raffaella (2010) Anatase(001) 3 ML Nanotubes, The First TiO2 Nanotube With Negative Strain Energies: A DFT Prediction. The Journal of Physical Chemistry Letters, 1 (19). 2854-2857 doi:10.1021/jz101184f
	Gentile, Francesco Silvio, Salustro, Simone, Desmarais, Jacques Kontak, Ferrari, Anna Maria, D'Arco, Philippe, Dovesi, Roberto (2018) Vibrational spectroscopy of hydrogens in diamond: a quantum mechanical treatment. Physical Chemistry Chemical Physics, 20 (17). 11930-11940 doi:10.1039/c8cp00596f
	Lacivita, Valentina, Erba, Alessandro, Dovesi, Roberto, D'Arco, Philippe (2014) Elasticity of grossular–andradite solid solution: an ab initio investigation. Physical Chemistry Chemical Physics, 16 (29). 15331pp. doi:10.1039/c4cp01597e
	Atrei, Andrea, Ferrari, Anna Maria, Szieberth, Denes, Cortigiani, Brunetto, Rovida, Gianfranco (2010) Lepidocrocite-like structure of the TiO2 monolayer grown on Ag(100). Physical Chemistry Chemical Physics, 12 (37). 11587pp. doi:10.1039/c0cp00173b
	Santra, Biswajit, Ko, Hsin-Yu, Yeh, Yao-Wen, Martelli, Fausto, Kaganovich, Igor, Raitses, Yevgeny, Car, Roberto (2018) Root-growth of boron nitride nanotubes: experiments and ab initio simulations. Nanoscale, 10. 22223-22230 doi:10.1039/c8nr06217j
	Orlando, Roberto, Bast, Radovan, Ruud, Kenneth, Ekström, Ulf, Ferrabone, Matteo, Kirtman, Bernard, Dovesi, Roberto (2011) The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn–Sham Scheme. The Journal of Physical Chemistry A, 115 (45). 12631-12637 doi:10.1021/jp203237m
	*Tappero, Rémy, D'Arco, Philippe, Lichanot, Albert (1997) Electronic structure of α-MnS (alabandite): an ab initio study. Chemical Physics Letters, 273. 83-90 doi:10.1016/s0009-2614(97)00591-5*

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Szieberth, Dénes, Ferrari, Anna Maria, D'Arco, Philippe, Orlando, Roberto (2011) Ab initio modeling of trititanate nanotubes. Nanoscale, 3. 1113pp. doi:10.1039/c0nr00529k

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