-
25
-
-
27944493369
-
-
in, ed. C. Catlow and E. Kotomin, IOS Press, Amsterdam, 187 of series NATO SCIENCE SERIES, III: Computer and Systems Sciences, 102-121
-
G. Mallia, R. Orlando, M. Llunell and R. Dovesi, in Computational Materials Science, ed., C. Catlow, and, E. Kotomin, IOS Press, Amsterdam, 2003, vol. 187 of series NATO SCIENCE SERIES, III: Computer and Systems Sciences, pp. 102-121
-
(2003)
Computational Materials Science
-
-
Mallia, G.1
Orlando, R.2
Llunell, M.3
Dovesi, R.4
-
27
-
-
34047091946
-
-
in, N. Kaltsoyannis and J. McGrady, Springer, Berlin/Heidelberg, 113, 171-232
-
F. Corà, M. Alfredsson, G. Mallia, D. Middlemiss, W. Mackrodt, R. Dovesi and R. Orlando, in Principles and Applications of Density Functional Theory in Inorganic Chemistry II, N. Kaltsoyannis, and, J. McGrady, Springer, Berlin/Heidelberg, 2004, vol. 113, pp. 171-232
-
(2004)
Principles and Applications of Density Functional Theory in Inorganic Chemistry II
-
-
Corà, F.1
Alfredsson, M.2
Mallia, G.3
Middlemiss, D.4
Mackrodt, W.5
Dovesi, R.6
Orlando, R.7
-
35
-
-
79959973013
-
-
I. J. Bush S. Tomi B. G. Searle G. Mallia C. L. Bailey B. Montanari L. Bernasconi J. M. Carr N. M. Harrison Proc. R. Soc. London, Ser. A 2011 467 2112
-
(2011)
Proc. R. Soc. London, Ser. A
, vol.467
, pp. 2112
-
-
Bush, I.J.1
Tomi, S.2
Searle, B.G.3
Mallia, G.4
Bailey, C.L.5
Montanari, B.6
Bernasconi, L.7
Carr, J.M.8
Harrison, N.M.9
-
37
-
-
79955672138
-
-
Università di Torino, Torino
-
R. Dovesi, V. R. Saunders, C. Roetti, R. Orlando, C. M. Zicovich-Wilson, F. Pascale, B. Civalleri, K. Doll, N. M. Harrison and I. J. Bush, et al., CRYSTAL09, Università di Torino, Torino, 2010
-
(2010)
Crystal09
-
-
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
-
38
-
-
24944578233
-
-
John Wiley & Sons, Inc., Wiley-VCH, 21
-
R. Dovesi, B. Civalleri, E. Orlando, C. Roetti and V. R. Saunders, Reviews in Computational Chemistry, John Wiley & Sons, Inc., Wiley-VCH, 2005, vol. 21
-
(2005)
Reviews in Computational Chemistry
-
-
Dovesi, R.1
Civalleri, B.2
Orlando, E.3
Roetti, C.4
Saunders, V.R.5
-
39
-
-
82555165970
-
-
University of Manchester
-
J. Muscat, PhD Thesis, University of Manchester, 1999
-
(1999)
PhD Thesis
-
-
Muscat, J.1
-
42
-
-
0003400758
-
-
Springer Verlag, Heidelberg, 48
-
C. Pisani, R. Dovesi and C. Roetti, Hartree-Fock Ab Initio Treatment of Crystalline Systems, Springer Verlag, Heidelberg, 1988, vol. 48
-
(1988)
Hartree-Fock Ab Initio Treatment of Crystalline Systems
-
-
Pisani, C.1
Dovesi, R.2
Roetti, C.3
-
46
-
-
0037080586
-
-
The DOS plots for the surfaces are plotted with respect to atomic zero and thus the variations in peak positions and Fermi energies can legitimately be interpreted in terms of changes in the surface dipole and workfunction
-
K. Reuter M. Scheffler Phys. Rev. B: Condens. Matter Mater. Phys. 2001 65 035406
-
(2001)
Phys. Rev. B: Condens. Matter Mater. Phys.
, vol.65
, pp. 035406
-
-
Reuter, K.1
Scheffler, M.2
|