-
2
-
-
0000775648
-
-
ed. L.-C. Dufour and J. Nowotny, Kluwer Academic Publications
-
P. S. Turner, C. F. Jones, S. Myhra, F. B. Neall, D. K. Pham and R. St. C. Smart, in Surface and Interfaces of Ceramic Materials, ed. L.-C. Dufour and J. Nowotny, Kluwer Academic Publications, 1988, p. 663.
-
(1988)
Surface and Interfaces of Ceramic Materials
, pp. 663
-
-
Turner, P.S.1
Jones, C.F.2
Myhra, S.3
Neall, F.B.4
Pham, D.K.5
Smart, R.St.C.6
-
4
-
-
0001272582
-
-
B. Ahlswede and K. Jug, J. Comput. Chem., 1999, 20, 563; ibid., 572.
-
J. Comput. Chem.
, pp. 572
-
-
-
6
-
-
84987110597
-
-
K. Jug, R. Iffert and J. Schulz, Int. J. Quantum Chem., 1987, 32, 265.
-
(1987)
Int. J. Quantum Chem.
, vol.32
, pp. 265
-
-
Jug, K.1
Iffert, R.2
Schulz, J.3
-
7
-
-
84986435909
-
-
J. Li, P. Correa de Mello and K. Jug, J. Comput. Chem., 1992, 13, 85.
-
(1992)
J. Comput. Chem.
, vol.13
, pp. 85
-
-
Li, J.1
De Mello, P.C.2
Jug, K.3
-
8
-
-
0003474595
-
-
ed. E. Clementi and G. Corongiu, STEF, Cagliari
-
K. Jug and T. Bredow, Methods and Techniques in Computational Chemistry, METECC95, ed. 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
-
13
-
-
0031553274
-
-
V. A. Tikhomirov, G. Geudtner and K. Jug, J. Phys. Chem. B, 1997, 101, 10398.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10398
-
-
Tikhomirov, V.A.1
Geudtner, G.2
Jug, K.3
-
18
-
-
0017516213
-
-
S. P. Kowalczyk, F. R. McFeely, L. Ley, V. T. Gritsyna and D. A. Shirley, Solid State Commun., 1977, 23, 161.
-
(1977)
Solid State Commun.
, vol.23
, pp. 161
-
-
Kowalczyk, S.P.1
McFeely, F.R.2
Ley, L.3
Gritsyna, V.T.4
Shirley, D.A.5
-
19
-
-
0346631952
-
-
C. G. Kinniburgh, J. Phys. C, 1975, 8, 2382; ibid., 1976, 9, 2695.
-
(1975)
J. Phys. C
, vol.8
, pp. 2382
-
-
Kinniburgh, C.G.1
-
20
-
-
0346631952
-
-
C. G. Kinniburgh, J. Phys. C, 1975, 8, 2382; ibid., 1976, 9, 2695.
-
(1976)
J. Phys. C
, vol.9
, pp. 2695
-
-
-
21
-
-
0019574644
-
-
T. Gotoh, S. Murakami, K. Kinosita and Y. Murata, J. Phys. Soc. Jpn., 1981, 50, 2063.
-
(1981)
J. Phys. Soc. Jpn.
, vol.50
, pp. 2063
-
-
Gotoh, T.1
Murakami, S.2
Kinosita, K.3
Murata, Y.4
-
23
-
-
0003187765
-
-
T. Urano, T. Kanaji and M. Kaburagi, Surf. Sci., 1983, 134, 109.
-
(1983)
Surf. Sci.
, vol.134
, pp. 109
-
-
Urano, T.1
Kanaji, T.2
Kaburagi, M.3
-
25
-
-
0000491979
-
-
H. Nakamatsu, A. Sudo and S. Kawai, Surf. Sci., 1988, 194, 265.
-
(1988)
Surf. Sci.
, vol.194
, pp. 265
-
-
Nakamatsu, H.1
Sudo, A.2
Kawai, S.3
-
26
-
-
0000812068
-
-
A. Santoni, D. B. Tran Thoai and J. Urban, Solid State Commun., 1988, 68, 1039.
-
(1988)
Solid State Commun.
, vol.68
, pp. 1039
-
-
Santoni, A.1
Tran Thoai, D.B.2
Urban, J.3
-
27
-
-
84910917797
-
-
D. L. Blanchard, D. L. Lessor, J. P. LaFemina, D. R. Baer, W. K. Ford and T. Guo, J. Vac. Sci. Technol. A, 1991, 9, 1814.
-
(1991)
J. Vac. Sci. Technol. A
, vol.9
, pp. 1814
-
-
Blanchard, D.L.1
Lessor, D.L.2
LaFemina, J.P.3
Baer, D.R.4
Ford, W.K.5
Guo, T.6
-
28
-
-
0028369569
-
-
J. B. Zhou, H. C. Lu, T. Gustafsson and P. Haberle, Surf. Sci., 1994, 302, 350.
-
(1994)
Surf. Sci.
, vol.302
, pp. 350
-
-
Zhou, J.B.1
Lu, H.C.2
Gustafsson, T.3
Haberle, P.4
-
29
-
-
0032050856
-
-
O. Robach, G. Renaud and A. Barbier, Surf. Sci., 1998, 401, 227.
-
(1998)
Surf. Sci.
, vol.401
, pp. 227
-
-
Robach, O.1
Renaud, G.2
Barbier, A.3
-
36
-
-
0000247908
-
-
F. W. de Wette, W. Kress and U. Schroder, Phys. Rev. B, 1985, 32, 4143.
-
(1985)
Phys. Rev. B
, vol.32
, pp. 4143
-
-
De Wette, F.W.1
Kress, W.2
Schroder, U.3
-
37
-
-
0000690491
-
-
M. Causà, R. Dovesi, C. Pisani and C. Roetti, Surf. Sci., 1986, 175, 551.
-
(1986)
Surf. Sci.
, vol.175
, pp. 551
-
-
Causà, M.1
Dovesi, R.2
Pisani, C.3
Roetti, C.4
-
41
-
-
0000697188
-
-
M. D. Towler, N. M. Harrison and M. I. McCarthy, Phys. Rev. B, 1995, 52, 5375.
-
(1995)
Phys. Rev. B
, vol.52
, pp. 5375
-
-
Towler, M.D.1
Harrison, N.M.2
McCarthy, M.I.3
-
42
-
-
0001398022
-
-
Y. Li, D. C. Langreth and M. R. Pederson, Phys. Rev. B, 1997, 55, 16456.
-
(1997)
Phys. Rev. B
, vol.55
, pp. 16456
-
-
Li, Y.1
Langreth, D.C.2
Pederson, M.R.3
-
43
-
-
0009514030
-
-
unpublished results
-
T. Bredow, unpublished results.
-
-
-
Bredow, T.1
-
44
-
-
0027805173
-
-
A. Gibson, R. Haydock and P. LaFemina, Appl. Surf. Sci., 1993, 72, 285.
-
(1993)
Appl. Surf. Sci.
, vol.72
, pp. 285
-
-
Gibson, A.1
Haydock, R.2
Lafemina, P.3
-
45
-
-
0029543675
-
-
L. N. Kantorovich, J. M. Holender and M. J. Gillan, Surf. Sci., 1995, 343, 221.
-
(1995)
Surf. Sci.
, vol.343
, pp. 221
-
-
Kantorovich, L.N.1
Holender, J.M.2
Gillan, M.J.3
-
47
-
-
0030906277
-
-
R. Orlando, R. Millini, G. Perego and R. Dovesi, J. Mol. Catal. A, 1997, 119, 253.
-
(1997)
J. Mol. Catal. A
, vol.119
, pp. 253
-
-
Orlando, R.1
Millini, R.2
Perego, G.3
Dovesi, R.4
-
48
-
-
0001155327
-
-
E. Scorza, U. Birkenheuer and C. Pisani, J. Chem. Phys., 1997, 107, 9645.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 9645
-
-
Scorza, E.1
Birkenheuer, U.2
Pisani, C.3
-
51
-
-
0001433153
-
-
F. Finocchi, J. Goniakowski and C. Noguera, Phys. Rev. B, 1999, 59, 5178.
-
(1999)
Phys. Rev. B
, vol.59
, pp. 5178
-
-
Finocchi, F.1
Goniakowski, J.2
Noguera, C.3
-
52
-
-
0001172158
-
-
J. J. P. Stewart, J. Comput. Chem., 1989, 10, 210; ibid., 1991, 12, 320.
-
(1989)
J. Comput. Chem.
, vol.10
, pp. 210
-
-
Stewart, J.J.P.1
-
53
-
-
84986525833
-
-
J. J. P. Stewart, J. Comput. Chem., 1989, 10, 210; ibid., 1991, 12, 320.
-
(1991)
J. Comput. Chem.
, vol.12
, pp. 320
-
-
-
54
-
-
0004180672
-
-
Fujitsu Limited, Tokyo, Japan
-
J. J. P. Stewart, MOPAC Manual, Fujitsu Limited, Tokyo, Japan, 1993.
-
(1993)
MOPAC Manual
-
-
Stewart, J.J.P.1
-
55
-
-
36449002507
-
-
L. A. Curtiss, K. Raghavachari and J. A. Pople, J. Chem. Phys., 1993, 98, 1293.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1293
-
-
Curtiss, L.A.1
Raghavachari, K.2
Pople, J.A.3
-
56
-
-
0000851072
-
-
T. Bredow, G. Geudtner and K. Jug, J. Chem. Phys., 1996, 105, 6395.
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 6395
-
-
Bredow, T.1
Geudtner, G.2
Jug, K.3
-
58
-
-
0003867643
-
-
University of Torino, Torino
-
V. R. Saunders, R. Dovesi, C. Roetti, M. Causà, N. M. Harrison, R. Orlando and C. M. Zicovich-Wilson, CRYSTAL98 Users Manual, University of Torino, Torino, 1998.
-
(1998)
CRYSTAL98 Users 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
|