-
3
-
-
0141564949
-
Proton-conducting oxides
-
K. D. Kreuer, Proton-conducting oxides. Annu. Rev. Mater. Res. 33, 333-59 (2003).
-
(2003)
Annu. Rev. Mater. Res.
, vol.33
, pp. 333-359
-
-
Kreuer, K.D.1
-
4
-
-
0035891321
-
Materials for fuel-cell technologies
-
DOI 10.1038/35104620
-
B. C. H. Steele and A. Heinzel, Materials for fuel-cell technologies. Nature 414, 345-352 (2001). (Pubitemid 33097817)
-
(2001)
Nature
, vol.414
, Issue.6861
, pp. 345-352
-
-
Steele, B.C.H.1
Heinzel, A.2
-
5
-
-
0033357033
-
Dopant and proton incorporation in perovskite-type zirconates
-
DOI 10.1016/S0167-2738(99)00244-1
-
R. A. Davies, M. S. Islam, and J. D. Gale, Dopant and proton incorporation in perovskite-type zirconates. Solid State Ionics 126, 323-335 (1999). (Pubitemid 30524207)
-
(1999)
Solid State Ionics
, vol.126
, Issue.3
, pp. 323-335
-
-
Davies, R.A.1
Islam, M.S.2
Gale, J.D.3
-
8
-
-
20144378220
-
CRYSTAL: A computational tool for the ab initio study of the electronic properties of crystals
-
DOI 10.1524/zkri.220.5.571.65065
-
R. Dovesi, R. Orlando, B. Civalleri, C. Roetti, V. R. Saunders, and C. M. Zicovich-Wilson, CRYSTAL: a computational tool for the ab initio study of the electronic properties of crystals. Z. Kristallogr. 220, 571-573 (2005). (Pubitemid 40778243)
-
(2005)
Zeitschrift fur Kristallographie
, vol.220
, Issue.5-6
, pp. 571-573
-
-
Dovesi, R.1
Orlando, R.2
Civalleri, B.3
Roetti, C.4
Saunders, V.R.5
Zicovich-Wilson, C.M.6
-
9
-
-
78650830129
-
-
University of Torino, Torino
-
R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison, I. J. Bush, Ph. D'Arco, and M. Llunell, CRYSTAL09 User's Manual, University of Torino, Torino, 2009.
-
(2009)
CRYSTAL09 User's Manual
-
-
Dovesi, R.1
Saunders, V.R.2
Roetti, C.3
Orlando, R.4
Zicovich-Wilson, C.M.5
Pascale, F.6
Civalleri, B.7
Doll, K.8
Harrison, N.M.9
Bush, I.J.10
D'Arco, Ph.11
Llunell, M.12
-
10
-
-
0001322105
-
Rationale for mixing exact exchange with density functional approximations
-
J. P. Perdew, M. Ernzerhof, and K. Burke, Rationale for mixing exact exchange with density functional approximations. J. Chem. Phys. 105, 9982-9985 (1996). (Pubitemid 126747886)
-
(1996)
Journal of Chemical Physics
, vol.105
, Issue.22
, pp. 9982-9985
-
-
Perdew, J.P.1
Ernzerhof, M.2
Burke, K.3
-
11
-
-
41049089637
-
Quantum chemistryof solids
-
Springer Series in Solid State Sciences, Heidelberg: Springer
-
R. A. Evarestov, Quantum Chemistryof Solids. The LCAO First Principles Treatment of Crystals. Springer Series in Solid State Sciences, Vol. 153. Heidelberg: Springer (2007).
-
(2007)
The LCAO First Principles Treatment of Crystals
, vol.153
-
-
Evarestov, R.A.1
-
12
-
-
0000766887
-
Effective core potentials
-
Edition, J. Grotendorst Ed., John von Neumann Institute for Computing, Jülich, NIC Series
-
M. Dolg, Effective Core Potentials. In: Modern Methods and Algorithms of Quantum Chemistry, Proceedings, Sec. Edition, J. Grotendorst (Ed.), John von Neumann Institute for Computing, Jülich, NIC Series, Vol. 3, pp. 507-540, 2000.
-
(2000)
Modern Methods and Algorithms of Quantum Chemistry, Proceedings, Sec.
, vol.3
, pp. 507-540
-
-
Dolg, M.1
-
13
-
-
79955016934
-
-
Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart. URL
-
M. Dolg, K. A. Peterson, P. Schwerdtfeger, and H. Stoll, Pseudopotentials of the Stuttgart/Cologne group. (Institute for Theoretical Chemistry, University of Stuttgart, Stuttgart). URL: http://www.theochem.uni-stuttgart.de, Last change 06/09/2009.
-
Pseudopotentials of the Stuttgart/Cologne Group
-
-
Dolg, M.1
Peterson, K.A.2
Schwerdtfeger, P.3
Stoll, H.4
-
15
-
-
79961194957
-
-
University of Torino, Torino, URL:, updated 08-02-2010
-
CRYSTAL Basis Sets Library, Theoretical Chemistry Group, University of Torino, Torino, URL: http://www.crystal.unito.it/Basis Sets/ptable.html, updated 08-02-2010.
-
CRYSTAL Basis Sets Library, Theoretical Chemistry Group
-
-
-
16
-
-
1842816907
-
Special points for Brillouin-zone integrations
-
H. J. Monkhorst, and J. D. Pack, Special points for Brillouin-zone integrations. Phys. Rev. B 13, 5188-5192 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188-5192
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
17
-
-
0042883963
-
3
-
3. J. Alloys Compd. 359, 109-113 (2003).
-
(2003)
J. Alloys Compd.
, vol.359
, pp. 109-113
-
-
Yamanaka, S.1
Fujikane, H.2
Hamaguchi, T.3
Muta, H.4
Oyama, T.5
Matsuda, T.6
Kobayashi, S.7
Kurosaki, K.8
-
20
-
-
0008518734
-
-
Eds., Wiley, New York
-
V. P. Glushko, V. A. Medvedev, and L. V. Gurvich (Eds.), Thermal Constants of Substances, Wiley, New York, 1999.
-
(1999)
Thermal Constants of Substances
-
-
Glushko, V.P.1
Medvedev, V.A.2
Gurvich, L.V.3
-
21
-
-
0034187380
-
Band offsets of wide band gap oxides and implications for future electronic devices
-
J. Robertson, Band offsets of wide band gap oxides and implications for future electronic devices. J. Vac. Sci. Technol. B 18, 1785-1791 (2000).
-
(2000)
J. Vac. Sci. Technol. B
, vol.18
, pp. 1785-1791
-
-
Robertson, J.1
-
22
-
-
10844282779
-
High dielectric constant oxides
-
DOI 10.1051/epjap:2004206
-
J. Robertson, High dielectric constant oxides. Eur. Phys. J. Appl. Phys. 28, 265-291 (2004). (Pubitemid 40002196)
-
(2004)
EPJ Applied Physics
, vol.28
, Issue.3
, pp. 265-291
-
-
Robertson, J.1
-
23
-
-
0028416948
-
Thermodynamic study of barium zirconates by massspectrometry
-
T. Matsui, S. Stølen, and H. Yokoi, Thermodynamic study of barium zirconates by massspectrometry. J. Nucl. Mater. 209, 174-179 (1994).
-
(1994)
J. Nucl. Mater.
, vol.209
, pp. 174-179
-
-
Matsui, T.1
Stølen, S.2
Yokoi, H.3
|