-
3
-
-
0000308224
-
-
S.G. LOUIE, M. SCHLUTER, J.P. CHELIKOWSKY, and M.L. COHEN, Phys. Rev. B 13, 1654 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 1654
-
-
Louie, S.G.1
Schluter, M.2
Chelikowsky, J.P.3
Cohen, M.L.4
-
8
-
-
0000154056
-
-
Y.F. ZHUKOVSKII, E.A. KOTOMIN, P.W.M. JACOBS, and A.M. STONEHAM, Phys. Rev. Lett. 84, 1256 (2000).
-
(2000)
Phys. Rev. Lett.
, vol.84
, pp. 1256
-
-
Zhukovskii, Y.F.1
Kotomin, E.A.2
Jacobs, P.W.M.3
Stoneham, A.M.4
-
9
-
-
0032206481
-
-
T. BREDOW, E. APRÀ, M. CATTI, and G. PACCHIONI, Surf. Sci. 418, 150 (1998).
-
(1998)
Surf. Sci.
, vol.418
, pp. 150
-
-
Bredow, T.1
Aprà, E.2
Catti, M.3
Pacchioni, G.4
-
13
-
-
0032090034
-
-
A. LICHANOT, C. LARRIEU, C. ZICOVICH-WILSON, C. ROETTI, R. ORLANDO, and R. DOVESI, J. Phys. Chem. Sol. 59, 1119 (1998).
-
(1998)
J. Phys. Chem. Sol.
, vol.59
, pp. 1119
-
-
Lichanot, A.1
Larrieu, C.2
Zicovich-Wilson, C.3
Roetti, C.4
Orlando, R.5
Dovesi, R.6
-
16
-
-
0001449229
-
-
J. NOGA, P. BAŇACKÝ, S. BISKUPIČ, R. BOČA, P. PELIKÁN, M. SVRČEK, and A. ZAJAC, J. Comput. Chem. 20, 253 (1999).
-
(1999)
J. Comput. Chem.
, vol.20
, pp. 253
-
-
Noga, J.1
Baňacký, P.2
Biskupič, S.3
Boča, R.4
Pelikán, P.5
Svrček, M.6
Zajac, A.7
-
18
-
-
84987058868
-
-
E.V. STEFANOVICH, E.K. SHIDLOVSKAYA, A.L. SHLUGER, and M.K. ZAKHAROV, phys. stat. sol. (b) 160, 529 (1990).
-
(1990)
Phys. Stat. Sol. (B)
, vol.160
, pp. 529
-
-
Stefanovich, E.V.1
Shidlovskaya, E.K.2
Shluger, A.L.3
Zakharov, M.K.4
-
19
-
-
0000847717
-
-
P. PERSSON, A. STASHANS, R. BERGSTRÖM, and S. LUNELL, Internat. J. Quantum Chem. 70, 1055 (1998).
-
(1998)
Internat. J. Quantum Chem.
, vol.70
, pp. 1055
-
-
Persson, P.1
Stashans, A.2
Bergström, R.3
Lunell, S.4
-
20
-
-
0003231406
-
Cluster models for surface and bulk phenomena
-
Eds. G. PACCHIONI, P.S. BAGUS, and F. PARMIGIANI, Plenum Press, New York
-
A. POREDDA, V.A. LOVCHIKOV, and K. JUG, Cluster Models for Surface and Bulk Phenomena, Eds. G. PACCHIONI, P.S. BAGUS, and F. PARMIGIANI, NATO ASI Series B, Vol. 283, Plenum Press, New York 1992 (pp. 641-650).
-
(1992)
NATO ASI Series B
, vol.283
, pp. 641-650
-
-
Poredda, A.1
Lovchikov, V.A.2
Jug, K.3
-
22
-
-
0001578818
-
-
J. MIRÓ, P. DEÁK, C.P. EWELS, and R. JONES, J. Phys. C: Condensed Matter 9, 9555 (1997).
-
(1997)
J. Phys. C: Condensed Matter
, vol.9
, pp. 9555
-
-
Miró, J.1
Deák, P.2
Ewels, C.P.3
Jones, R.4
-
23
-
-
0004091177
-
-
Springer Series in Solid State Sciences, Springer-Verlag, Berlin
-
R.A. EVARESTOV and V.P. SMIRNOV, Site Symmetry in Crystals: Theory and Applications, 2nd ed., Springer Series in Solid State Sciences, Vol. 108, Springer-Verlag, Berlin 1997.
-
(1997)
Site Symmetry in Crystals: Theory and Applications, 2nd Ed.
, vol.108
-
-
Evarestov, R.A.1
Smirnov, V.P.2
-
24
-
-
0034339310
-
-
R. DOVESI, R. ORLANDO, C. ROETTI, C. PISANI, and V.R. SAUNDERS, phys. stat. sol. (b) 217, 63 (2000).
-
(2000)
Phys. Stat. Sol. (B)
, vol.217
, pp. 63
-
-
Dovesi, R.1
Orlando, R.2
Roetti, C.3
Pisani, C.4
Saunders, V.R.5
-
26
-
-
0004174384
-
Transition metal oxides: An introduction to their electronic structure and properties
-
Clarendon Press, Oxford
-
P.A. COX, Transition Metal Oxides: An Introduction to Their Electronic Structure and Properties, The International Series of Monographs on Chemistry, Vol. 27, Clarendon Press, Oxford 1995.
-
(1995)
The International Series of Monographs on Chemistry
, vol.27
-
-
Cox, P.A.1
-
34
-
-
0000798783
-
Hartree-Fock ab initio treatment of crystalline systems
-
Springer-Verlag, Berlin
-
C. PISANI, R. DOVESI, and C. ROETTI, Hartree-Fock ab initio Treatment of Crystalline Systems, Lecture Notes in Chemistry, Vol. 48, Springer-Verlag, Berlin 1988.
-
(1988)
Lecture Notes in Chemistry
, vol.48
-
-
Pisani, C.1
Dovesi, R.2
Roetti, C.3
-
36
-
-
0003599949
-
-
Università di Torino, Torino
-
R. DOVESI, V.R. SAUNDERS, C. ROETTI, N.M. HARRISON. R. ORLANDO, and E. APRÀ, Crystal95 User's Manual, Università di Torino, Torino 1996.
-
(1996)
Crystal95 User's Manual
-
-
Dovesi, R.1
Saunders, V.R.2
Roetti, C.3
Harrison, N.M.4
Orlando, R.5
Aprà, E.6
-
37
-
-
0003867643
-
-
Università di Torino, Torino http://www.ch.unito.it/ifm/teorica/crystal.html
-
V.R. SAUNDERS, R. DOVESI, C. ROETTI, M. CAUSÀ, N.M. HARRISON, R. ORLANDO, and C.M. ZICOVICH-WILSON, Crystal98 User's Manual, Università di Torino, Torino 1998. http://www.dl.ac.uk/TCS/Software/CRYSTAL http://www.ch.unito.it/ifm/teorica/crystal.html
-
(1998)
Crystal98 User's Manual
-
-
Saunders, V.R.1
Dovesi, R.2
Roetti, C.3
Causà, M.4
Harrison, N.M.5
Orlando, R.6
Zicovich-Wilson, C.M.7
-
44
-
-
0001162615
-
-
B. SILVI, N. FOURATI, R. NADA, and C.R.A. CATLOW, J. Phys. Chem. Solids 52, 1005 (1991).
-
(1991)
J. Phys. Chem. Solids
, vol.52
, pp. 1005
-
-
Silvi, B.1
Fourati, N.2
Nada, R.3
Catlow, C.R.A.4
-
45
-
-
33744629963
-
-
A. FAHMI, C. MINOT, B. SILVI, and M. CAUSÀ, Phys. Rev. B 47, 11717 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 11717
-
-
Fahmi, A.1
Minot, C.2
Silvi, B.3
Causà, M.4
-
48
-
-
0001602822
-
-
A. STASHANS, S. LUNELL, R. BERGSTRÖM, A. HAGFELDT, and S.-E. LINDQUIST, Phys. Rev. B 53, 159 (1996).
-
(1996)
Phys. Rev. B
, vol.53
, pp. 159
-
-
Stashans, A.1
Lunell, S.2
Bergström, R.3
Hagfeldt, A.4
Lindquist, S.-E.5
-
53
-
-
0002537128
-
-
B. SILVI, M. CAUSÀ, R. DOVESI, and C. ROETTI, Mol. Phys. 67, 891 (1989).
-
(1989)
Mol. Phys.
, vol.67
, pp. 891
-
-
Silvi, B.1
Causà, M.2
Dovesi, R.3
Roetti, C.4
-
57
-
-
0003474595
-
-
Eds. E. CLEMENTI and G. CORONGIU, STEF, Cagliari
-
K. JUG and T. BREDOW, Methods and Techniques in Computational Chemistry, METECC95, Eds. E. CLEMENTI and G. CORONGIU, STEF, Cagliari 1995 (p. 89).
-
(1995)
Methods and Techniques in Computational Chemistry, METECC95
, pp. 89
-
-
Jug, K.1
Bredow, T.2
-
58
-
-
0002611107
-
-
Eds. P. V. RAGUÉ SCHLEYER, N.L. ALLINGER, T. CLARK, J. GASTEIGER, P.A. KOLLMAN, H.F. SCHAEFER III, and P.R. SCHREINER, John Wiley & Sons, New York
-
K. JUG and T. BREDOW, SINDO1: Parametrization and Application, Encyclopedia of Computational Chemistry, Vol. 4, Eds. P. V. RAGUÉ SCHLEYER, N.L. ALLINGER, T. CLARK, J. GASTEIGER, P.A. KOLLMAN, H.F. SCHAEFER III, and P.R. SCHREINER, John Wiley & Sons, New York 1998 (p. 2599).
-
(1998)
SINDO1: Parametrization and Application, Encyclopedia of Computational Chemistry
, vol.4
, pp. 2599
-
-
Jug, K.1
Bredow, T.2
-
59
-
-
85037795277
-
-
unpublished results
-
F. JANETZKO, unpublished results.
-
-
-
Janetzko, F.1
-
60
-
-
33845281352
-
-
J.K. BURDETT, T. HUGHBANKS, G.J. MILLER, J.W. RICHARDSON, JR., and J.V. SMITH, J. Amer. Chem. Soc. 109, 3639 (1987).
-
(1987)
J. Amer. Chem. Soc.
, vol.109
, pp. 3639
-
-
Burdett, J.K.1
Hughbanks, T.2
Miller, G.J.3
Richardson J.W., Jr.4
Smith, J.V.5
|