-
1
-
-
0007236930
-
-
A. F. Gusovius, T. C. Watling and R. Prins, Appl. Catal. A, 1999, 188, 187.
-
(1999)
Appl. Catal. A
, vol.188
, pp. 187
-
-
Gusovius, A.F.1
Watling, T.C.2
Prins, R.3
-
3
-
-
0035894541
-
-
M. K. Rose, A. Borg, T. Mitsui, D. F. Ogletree and M. Salmeron, J. Chem. Phys., 2001, 115, 10927.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 10927
-
-
Rose, M.K.1
Borg, A.2
Mitsui, T.3
Ogletree, D.F.4
Salmeron, M.5
-
4
-
-
0004137624
-
-
Springer Series in Materials Science, Springer, Berlin
-
The Metal-Hydrogen System, ed. Y. Fukai, Springer Series in Materials Science, Vol. 21, Springer, Berlin, 1993.
-
(1993)
The Metal-Hydrogen System
, vol.21
-
-
Fukai, Y.1
-
5
-
-
0035919005
-
-
M. Wilde, M. Matsumoto, K. Fukutani and T. Aruga, Surf. Sci., 2001, 482-485, 346.
-
(2001)
Surf. Sci.
, vol.482-485
, pp. 346
-
-
Wilde, M.1
Matsumoto, M.2
Fukutani, K.3
Aruga, T.4
-
6
-
-
0030081336
-
-
V. A. Bodzie, P. Kleban and D. J. Dwyer, Surf. Sci., 1996, 347, 319.
-
(1996)
Surf. Sci.
, vol.347
, pp. 319
-
-
Bodzie, V.A.1
Kleban, P.2
Dwyer, D.J.3
-
7
-
-
0031103202
-
-
E. H. Voogt, A. J. M. Mens, O. L. J. Gijzeman and J. W. Geus, Surf. Sci., 1997, 373, 210.
-
(1997)
Surf. Sci.
, vol.373
, pp. 210
-
-
Voogt, E.H.1
Mens, A.J.M.2
Gijzeman, O.L.J.3
Geus, J.W.4
-
8
-
-
0033895054
-
-
F. P. Leisenberger, G. Koller, M. Sock, S. Surnev, M. G. Ramsey, F. P. Netzer, B. Klötzer and K. Hayek, Surf. Sci., 2000, 445, 380.
-
(2000)
Surf. Sci.
, vol.445
, pp. 380
-
-
Leisenberger, F.P.1
Koller, G.2
Sock, M.3
Surnev, S.4
Ramsey, M.G.5
Netzer, F.P.6
Klötzer, B.7
Hayek, K.8
-
9
-
-
0035919097
-
-
B. Klötzer, K. Hayek, C. Konvicka, E. Lundgren and P. Varga, Surf. Sci., 2001, 482-485, 237.
-
(2001)
Surf. Sci.
, vol.482-485
, pp. 237
-
-
Klötzer, B.1
Hayek, K.2
Konvicka, C.3
Lundgren, E.4
Varga, P.5
-
10
-
-
0002116573
-
-
I. Meusel, J. Hoffmann, J. Hartmann, M. Heemeier, M. Bäumer, J. Libuda and H.-J. Freund, Catal. Lett., 2001, 71, 5.
-
(2001)
Catal. Lett.
, vol.71
, pp. 5
-
-
Meusel, I.1
Hoffmann, J.2
Hartmann, J.3
Heemeier, M.4
Bäumer, M.5
Libuda, J.6
Freund, H.-J.7
-
11
-
-
0036533661
-
-
Sh. Shaikhutdinov, M. Heemeier, J. Hoffmann, I. Meusel, B. Richter, M. Bäumer, H. Kuhlenbeck, J. Libuda, H.-J. Freund, R. Oldman, S. D. Jackson, C. Konvicka, M. Schmid and P. Varga, Surf. Sci., 2002, 501, 270.
-
(2002)
Surf. Sci.
, vol.501
, pp. 270
-
-
Shaikhutdinov, S.1
Heemeier, M.2
Hoffmann, J.3
Meusel, I.4
Richter, B.5
Bäumer, M.6
Kuhlenbeck, H.7
Libuda, J.8
Freund, H.-J.9
Oldman, R.10
Jackson, S.D.11
Konvicka, C.12
Schmid, M.13
Varga, P.14
-
12
-
-
0036904023
-
-
I. V. Yudanov, R. Sahnoun, K. M. Neyman and N. Rösch, J. Chem. Phys., 2002, 117, 9887.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 9887
-
-
Yudanov, I.V.1
Sahnoun, R.2
Neyman, K.M.3
Rösch, N.4
-
13
-
-
0037426669
-
-
I. V. Yudanov, R. Sahnoun, K. M. Neyman, N. Rösch, J. Hoffmann, S. Schauermann, V. Johánek, H. Unterhalt, G. Rupprechter, J. Libuda and H.-J. Freund, J. Phys. Chem. B, 2003, 107, 255.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 255
-
-
Yudanov, I.V.1
Sahnoun, R.2
Neyman, K.M.3
Rösch, N.4
Hoffmann, J.5
Schauermann, S.6
Johánek, V.7
Unterhalt, H.8
Rupprechter, G.9
Libuda, J.10
Freund, H.-J.11
-
15
-
-
0000974619
-
-
ed. H.-J. Bungartz, F. Durst and C. Zenger, Springer, Heidelberg
-
T. Belling, T. Grauschopf, S. Krüger, M. Mayer, F. Nörtemann, M. Staufer, C. Zenger and N. Rösch, in High Performance Scientific and Engineering Computing, Lecture Notes in Computational Science and Engineering, ed. H.-J. Bungartz, F. Durst and C. Zenger, Springer, Heidelberg, 1999, vol. 8, p. 439.
-
(1999)
High Performance Scientific and Engineering Computing, Lecture Notes in Computational Science and Engineering
, vol.8
, pp. 439
-
-
Belling, T.1
Grauschopf, T.2
Krüger, S.3
Mayer, M.4
Nörtemann, F.5
Staufer, M.6
Zenger, C.7
Rösch, N.8
-
16
-
-
0004088376
-
-
Technische Universität München
-
T. Belling, T. Grauschopf, S. Krüger, F. Nörtemann, M. Staufer, M. Mayer, V. A. Nasluzov, U. Birkenheuer, A. Hu, A. V. Matveev, A. M. Shor, M. S. K. Fuchs-Rohr, K. M. Neyman, D. I. Ganyushin, T. Kerdcharoen, A. Woiterski and N. Rösch, ParaGauss, Version 2.2, Technische Universität München, 2001.
-
(2001)
ParaGauss, Version 2.2
-
-
Belling, T.1
Grauschopf, T.2
Krüger, S.3
Nörtemann, F.4
Staufer, M.5
Mayer, M.6
Nasluzov, V.A.7
Birkenheuer, U.8
Hu, A.9
Matveev, A.V.10
Shor, A.M.11
Fuchs-Rohr, M.S.K.12
Neyman, K.M.13
Ganyushin, D.I.14
Kerdcharoen, T.15
Woiterski, A.16
Rösch, N.17
-
18
-
-
77956656833
-
-
ed. J. M. Seminario, Elsevier, Amsterdam
-
N. Rösch, S. Krüger, M. Mayer and V. A. Nasluzov, in Recent Developments and Applications of Modern Density Functional Theory, ed. J. M. Seminario, Elsevier, Amsterdam, 1996, p 497.
-
(1996)
Recent Developments and Applications of Modern Density Functional Theory
, pp. 497
-
-
Rösch, N.1
Krüger, S.2
Mayer, M.3
Nasluzov, V.A.4
-
19
-
-
0000216001
-
-
S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys., 1980, 58, 1200.
-
(1980)
Can. J. Phys.
, vol.58
, pp. 1200
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
21
-
-
0001257707
-
-
J. P. Perdew, Phys. Rev. B, 1986, 33, 8622; J. P. Perdew, Phys. Rev. B, 1986, 34, 7406.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8622
-
-
Perdew, J.P.1
-
22
-
-
4043083704
-
-
J. P. Perdew, Phys. Rev. B, 1986, 33, 8622; J. P. Perdew, Phys. Rev. B, 1986, 34, 7406.
-
(1986)
Phys. Rev. B
, vol.34
, pp. 7406
-
-
Perdew, J.P.1
-
25
-
-
1642433440
-
-
note
-
In refs. 12 and 13 a p-exponent added to the original orbital basis set of Pd was erroneously given as 0.0214 instead of 0.2143 as used in the calculations.
-
-
-
-
26
-
-
0042106817
-
-
P.-O. Widmark, P.-A. Malmqvist and B. O. Roos, Theor. Chim. Acta, 1990, 77, 291.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 291
-
-
Widmark, P.-O.1
Malmqvist, P.-A.2
Roos, B.O.3
-
27
-
-
0035424007
-
-
S. Krüger, S. Vent, F Nörtemann, M. Staufer and N. Rösch, J. Chem. Phys., 2001, 115, 2082.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 2082
-
-
Krüger, S.1
Vent, S.2
Nörtemann, F.3
Staufer, M.4
Rösch, N.5
-
28
-
-
0003998388
-
-
ed. D. R. Lide, CRC Press, Boca Raton, FL, 77th edn.
-
CRC Handbook of Chemistry and Physics, ed. D. R. Lide, CRC Press, Boca Raton, FL, 77th edn., 1996.
-
(1996)
CRC Handbook of Chemistry and Physics
-
-
-
30
-
-
0003631340
-
-
ed. G. Pacchioni, P. S. Bagus and F. Parmigiani, NATO ASI Series B, Plenum, New York
-
Cluster Models for Surface and Bulk Phenomena, ed. G. Pacchioni, P. S. Bagus and F. Parmigiani, NATO ASI Series B, Vol. 283, Plenum, New York, 1992.
-
(1992)
Cluster Models for Surface and Bulk Phenomena
, vol.283
-
-
-
34
-
-
1642474495
-
-
ed. T. N. Rhodin and G. Ertl, North Holland, Amsterdam
-
G. Ertl, in The Nature of the Chemical Bond, ed. T. N. Rhodin and G. Ertl, North Holland, Amsterdam, 1979, p. 315.
-
(1979)
The Nature of the Chemical Bond
, vol.315
-
-
Ertl, G.1
-
35
-
-
0001437743
-
-
A. Matveev, M. Staufer, M. Mayer and N. Rösch, Int. J. Quantum Chem., 1999, 75, 863.
-
(1999)
Int. J. Quantum Chem.
, vol.75
, pp. 863
-
-
Matveev, A.1
Staufer, M.2
Mayer, M.3
Rösch, N.4
-
36
-
-
0000350378
-
-
P. Gisdakis, S. Antonczak and N. Rösch, Organometallics, 1999, 18, 5044.
-
(1999)
Organometallics
, vol.18
, pp. 5044
-
-
Gisdakis, P.1
Antonczak, S.2
Rösch, N.3
-
38
-
-
4243943295
-
-
J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett., 1996, 77, 3865.
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
41
-
-
0031131526
-
-
H. Natter, B. Wettmann, B. Heisel and R. Hempelmann, J. Alloys. Compd., 1997, 253, 84.
-
(1997)
J. Alloys. Compd.
, vol.253
, pp. 84
-
-
Natter, H.1
Wettmann, B.2
Heisel, B.3
Hempelmann, R.4
-
42
-
-
0034134418
-
-
C. Nützenadel, A. Züttel, D. Chartouni, G. Schmid and L. Schlapbach, Eur. Phys. J. D, 2000, 8, 245.
-
(2000)
Eur. Phys. J. D
, vol.8
, pp. 245
-
-
Nützenadel, C.1
Züttel, A.2
Chartouni, D.3
Schmid, G.4
Schlapbach, L.5
-
43
-
-
0016026119
-
-
H. Conrad, G. Ertl and E. E. Latta, Surf. Sci., 1974, 41, 435.
-
(1974)
Surf. Sci.
, vol.41
, pp. 435
-
-
Conrad, H.1
Ertl, G.2
Latta, E.E.3
-
46
-
-
0037113002
-
-
K. Nobuhara, H. Kasai, H. Nakanishi and A. Okiji, J. Appl. Phys., 2002, 92, 5704.
-
(2002)
J. Appl. Phys.
, vol.92
, pp. 5704
-
-
Nobuhara, K.1
Kasai, H.2
Nakanishi, H.3
Okiji, A.4
-
48
-
-
0032058281
-
-
H. Yokoyama, H. Numakura and M. Koiwa, Acta Mater., 1998, 46, 2823.
-
(1998)
Acta Mater.
, vol.46
, pp. 2823
-
-
Yokoyama, H.1
Numakura, H.2
Koiwa, M.3
-
49
-
-
0035794990
-
-
M. Beck, M. Ellner and E. J. Mittemeijer, Acta Mater., 2001, 49, 985.
-
(2001)
Acta Mater.
, vol.49
, pp. 985
-
-
Beck, M.1
Ellner, M.2
Mittemeijer, E.J.3
-
51
-
-
0001575825
-
-
S. B. Ziemecki, J. A. Jones, D. G. Swatzfager and R. L. Harlow, J. Am. Chem. Soc., 1985, 107, 4547.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 4547
-
-
Ziemecki, S.B.1
Jones, J.A.2
Swatzfager, D.G.3
Harlow, R.L.4
-
57
-
-
0037028705
-
-
K. Reuter, C. Stampfl, M. V. Ganduglia-Pirovano and M. Scheffler, Chem. Phys. Lett., 2002, 352, 311.
-
(2002)
Chem. Phys. Lett.
, vol.352
, pp. 311
-
-
Reuter, K.1
Stampfl, C.2
Ganduglia-Pirovano, M.V.3
Scheffler, M.4
-
58
-
-
0037098439
-
-
M. V. Ganduglia-Pirovano, K. Reuter and M. Scheffler, Phys. Rev. B, 2002, 65, 245426.
-
(2002)
Phys. Rev. B
, vol.65
, pp. 245426
-
-
Ganduglia-Pirovano, M.V.1
Reuter, K.2
Scheffler, M.3
-
59
-
-
1342275303
-
-
W.-X. Li, C. Stampfl and M. Scheffler, Phys. Rev. B, 2002, 65, 75407.
-
(2002)
Phys. Rev. B
, vol.65
, pp. 75407
-
-
Li, W.-X.1
Stampfl, C.2
Scheffler, M.3
-
60
-
-
0037179297
-
-
M. Todorova, W.-X. Li, M. V. Ganduglia-Pirovano, C. Stampfl, K. Reuter and M. Scheffler, Phys. Rev. Lett., 2002, 89, 96 103.
-
(2002)
Phys. Rev. Lett.
, vol.89
, pp. 96103
-
-
Todorova, M.1
Li, W.-X.2
Ganduglia-Pirovano, M.V.3
Stampfl, C.4
Reuter, K.5
Scheffler, M.6
-
61
-
-
0004033098
-
-
Wiley, New York, 2nd edn.
-
R. W. G. Wyckoff, Crystal Structures, Wiley, New York, 2nd edn., 1963, vol. 1.
-
(1963)
Crystal Structures
, vol.1
-
-
Wyckoff, R.W.G.1
-
63
-
-
0038518852
-
-
A. Föhlisch, M. Nyberg, P. Bennich, L. Triguero, J. Hasselström, O. Karis, L. G. M. Pettersson and A. Nilsson, J. Chem. Phys., 2000, 112, 1946.
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1946
-
-
Föhlisch, A.1
Nyberg, M.2
Bennich, P.3
Triguero, L.4
Hasselström, J.5
Karis, O.6
Pettersson, L.G.M.7
Nilsson, A.8
-
64
-
-
0037451812
-
-
V. V. Kaichev, I. P. Prosvirin, V. I. Bukhtiyarov, H. Unterhalt, G. Rupprechter and H.-J. Freund, J. Phys. Chem. B, 2003, 107, 3522.
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 3522
-
-
Kaichev, V.V.1
Prosvirin, I.P.2
Bukhtiyarov, V.I.3
Unterhalt, H.4
Rupprechter, G.5
Freund, H.-J.6
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