-
1
-
-
0003093066
-
-
Y. Usami, K. Kagawa, M. Kawazoe, Y. Matsumura, H. Sakurai and M. Haruta, Appl. Catal., A, 1998, 171, 123.
-
(1998)
Appl. Catal., A
, vol.171
, pp. 123
-
-
Usami, Y.1
Kagawa, K.2
Kawazoe, M.3
Matsumura, Y.4
Sakurai, H.5
Haruta, M.6
-
2
-
-
0000070474
-
-
R. Shiozaki, T. Hayakawa, Y. Y. Liu, T. Ishii, M. Kumagai, S. Hamakawa, K. Suzuki, T. Itoh, T. Shishido and K. Takehira, Catal. Lett., 1999, 58, 131.
-
(1999)
Catal. Lett.
, vol.58
, pp. 131
-
-
Shiozaki, R.1
Hayakawa, T.2
Liu, Y.Y.3
Ishii, T.4
Kumagai, M.5
Hamakawa, S.6
Suzuki, K.7
Itoh, T.8
Shishido, T.9
Takehira, K.10
-
3
-
-
0037099736
-
-
S. Schauermann, J. Hoffmann, V. Johánek, J. Hartmann, J. Libuda and H.-J. Freund, Angew. Chem., Int. Ed., 2002, 41, 2532.
-
(2002)
Angew. Chem., Int. Ed.
, vol.41
, pp. 2532
-
-
Schauermann, S.1
Hoffmann, J.2
Johánek, V.3
Hartmann, J.4
Libuda, J.5
Freund, H.-J.6
-
4
-
-
4444235648
-
-
M. Morkel, V. V. Kaichev, G. Rupprechter, H.-J. Freund, I. P. Prosvirin and V. I. Bukhtiyarov, J. Phys. Chem. B, 2004, 108, 12955.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 12955
-
-
Morkel, M.1
Kaichev, V.V.2
Rupprechter, G.3
Freund, H.-J.4
Prosvirin, I.P.5
Bukhtiyarov, V.I.6
-
5
-
-
26844478991
-
-
M. Borasio, O. Rodríguez de la Fuente, G. Rupprechter and H.-J. Freund, J. Phys. Chem. B, 2005, 109, 17791.
-
(2005)
J. Phys. Chem. B
, vol.109
, pp. 17791
-
-
Borasio, M.1
Rodríguez De La Fuente, O.2
Rupprechter, G.3
Freund, H.-J.4
-
6
-
-
4544320558
-
-
V. V. Kaichev, M. Morkel, H. Unterhalt, I. P. Prosvirin, V. I. Bukhtiyarov, G. Rupprechter and H.-J. Freund, Surf. Sci., 2004, 566, 568-1024.
-
(2004)
Surf. Sci.
, vol.566
, pp. 568-1024
-
-
Kaichev, V.V.1
Morkel, M.2
Unterhalt, H.3
Prosvirin, I.P.4
Bukhtiyarov, V.I.5
Rupprechter, G.6
Freund, H.-J.7
-
7
-
-
4544363896
-
-
O. Rodríguez de la Fuente, M. Borasio, P. Galletto, G. Rupprechter and H.-J. Freund, Surf. Sci., 2004, 566-568, 740.
-
(2004)
Surf. Sci.
, vol.566-568
, pp. 740
-
-
Rodríguez De La Fuente, O.1
Borasio, M.2
Galletto, P.3
Rupprechter, G.4
Freund, H.-J.5
-
8
-
-
0034226254
-
-
T. Dellwig, G. Rupprechter and H.-J. Freund, Phys. Rev. Lett., 2000, 85, 776.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 776
-
-
Dellwig, T.1
Rupprechter, G.2
Freund, H.-J.3
-
10
-
-
0035825997
-
-
J. Libuda, I. Meusel, J. Hoffmann, J. Hartmann, L. Piccolo, C. R. Henry and H.-J. Freund, J. Chem. Phys., 2001, 114, 4669.
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4669
-
-
Libuda, J.1
Meusel, I.2
Hoffmann, J.3
Hartmann, J.4
Piccolo, L.5
Henry, C.R.6
Freund, H.-J.7
-
11
-
-
4644325761
-
-
Z. X. Chen, K. M. Neyman, K. H. Lim and N. Rösch, Langmuir, 2004, 20, 8068.
-
(2004)
Langmuir
, vol.20
, pp. 8068
-
-
Chen, Z.X.1
Neyman, K.M.2
Lim, K.H.3
Rösch, N.4
-
12
-
-
8344251948
-
-
Z. X. Chen, K. H. Lim, K. M. Neyman and N. Rösch, Phys. Chem. Chem. Phys., 2004, 6, 4499.
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 4499
-
-
Chen, Z.X.1
Lim, K.H.2
Neyman, K.M.3
Rösch, N.4
-
13
-
-
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
-
14
-
-
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
-
-
2442552755
-
-
K. M. Neyman, R. Sahnoun, C. Inntam, S. Hengrasmee and N. Rösch, J. Phys. Chem. B, 2004, 108, 5424.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 5424
-
-
Neyman, K.M.1
Sahnoun, R.2
Inntam, C.3
Hengrasmee, S.4
Rösch, N.5
-
16
-
-
1642523776
-
-
I. V. Yudanov, K. M. Neyman and N. Rösch, Phys. Chem. Chem. Phys., 2004, 6, 116.
-
(2004)
Phys. Chem. Chem. Phys.
, vol.6
, pp. 116
-
-
Yudanov, I.V.1
Neyman, K.M.2
Rösch, N.3
-
17
-
-
18744363415
-
-
K. M. Neyman, C. Inntam, A. B. Gordienko, I. V. Yudanov and N. Rösch, J. Chem. Phys., 2005, 122, 174705.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 174705
-
-
Neyman, K.M.1
Inntam, C.2
Gordienko, A.B.3
Yudanov, I.V.4
Rösch, N.5
-
19
-
-
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
-
20
-
-
8344224681
-
-
Technische Universität München, Munich
-
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, A. B. Gordienko, S. Majumder and N. Rösch, PARAGAUSS, Version 3.0, Technische Universität München, Munich, 2004.
-
(2004)
PARAGAUSS, Version 3.0
-
-
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
Gordienko, A.B.17
Majumder, S.18
Rösch, N.19
-
22
-
-
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
-
27
-
-
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
-
28
-
-
33744730137
-
-
note
-
In ref. 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.
-
-
-
-
29
-
-
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
-
30
-
-
0003631340
-
-
Plenum, New York
-
Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B, ed. G. Pacchioni, P. S. Bagus and F. Parmigiani, Plenum, New York, 1992, vol. 283.
-
(1992)
Cluster Models for Surface and Bulk Phenomena, NATO ASI Series B
, vol.283
-
-
Pacchioni, G.1
Bagus, P.S.2
Parmigiani, F.3
-
34
-
-
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
-
39
-
-
0037075789
-
-
S. K. Desai, M. Neurock and K. Kourtakis, J. Phys. Chem. B, 2002, 106, 2559.
-
(2002)
J. Phys. Chem. B
, vol.106
, pp. 2559
-
-
Desai, S.K.1
Neurock, M.2
Kourtakis, K.3
-
41
-
-
0034317771
-
-
A. P. Seitsonen, Y. D. Kim, S. Schwegmann and H. Over, Surf. Sci., 2000, 468, 176.
-
(2000)
Surf. Sci.
, vol.468
, pp. 176
-
-
Seitsonen, A.P.1
Kim, Y.D.2
Schwegmann, S.3
Over, H.4
-
43
-
-
0000119599
-
-
D. Loffreda, D. Simon and P. Sautet, J. Chem. Phys., 1998, 108, 6447.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 6447
-
-
Loffreda, D.1
Simon, D.2
Sautet, P.3
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