-
1
-
-
0003868030
-
-
edited by G. Ertl, H. Knözinger, and Weinheim, VCH, J. Weltkamp
-
Handbook of Heterogeneous Catalysis, edited by, G. Ertl,,, H. Knözinger,, and, J. Weltkamp, (Weinheim, VCH, 1997).
-
(1997)
Handbook of Heterogeneous Catalysis
-
-
-
5
-
-
0001757698
-
-
SUSCAS 0039-6028 10.1016/0039-6028(85)90859-3
-
D. W. Moon, D. J. Dwyer, and S. L. Bernasek, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(85)90859-3 163, 215 (1985);
-
(1985)
Surf. Sci.
, vol.163
, pp. 215
-
-
Moon, D.W.1
Dwyer, D.J.2
Bernasek, S.L.3
-
6
-
-
0003156907
-
-
SUSCAS 0039-6028 10.1016/0167-2584(87)90770-5
-
D. W. Moon, S. L. Bernasek, J. P. Lu, J. L. Gland, and D. L. Dwyer, Surf. Sci. SUSCAS 0039-6028 10.1016/0167-2584(87)90770-5 184, 90 (1987).
-
(1987)
Surf. Sci.
, vol.184
, pp. 90
-
-
Moon, D.W.1
Bernasek, S.L.2
Lu, J.P.3
Gland, J.L.4
Dwyer, D.L.5
-
7
-
-
0001367079
-
-
SUSCAS 0039-6028 10.1016/0039-6028(87)90033-1
-
D. W. Moon, S. Cameron, F. Zaera, W. Eberhardt, R. Carr, S. L. Bernasek, J. L. Gland, and D. J. Dwyer, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(87)90033-1 180, L123 (1987).
-
(1987)
Surf. Sci.
, vol.180
, pp. 123
-
-
Moon, D.W.1
Cameron, S.2
Zaera, F.3
Eberhardt, W.4
Carr, R.5
Bernasek, S.L.6
Gland, J.L.7
Dwyer, D.J.8
-
8
-
-
48849085017
-
-
SUSCAS 0039-6028 10.1016/0039-6028(80)90160-0
-
J. Benziger and R. J. Madix, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(80)90160-0 94, 119 (1980);
-
(1980)
Surf. Sci.
, vol.94
, pp. 119
-
-
Benziger, J.1
Madix, R.J.2
-
11
-
-
0030086280
-
-
SUSCAS 0039-6028 10.1016/0039-6028(95)01016-5
-
P. B. Merrill and R. J. Madix, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(95)01016-5 347, 249 (1996).
-
(1996)
Surf. Sci.
, vol.347
, pp. 249
-
-
Merrill, P.B.1
Madix, R.J.2
-
12
-
-
0035127683
-
-
JPCBFK 1089-5647 10.1021/jp002314e
-
S. K. Nayak, M. Nooijen, S. L. Bernasek, and P. Blaha, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp002314e 105, 164 (2001).
-
(2001)
J. Phys. Chem. B
, vol.105
, pp. 164
-
-
Nayak, S.K.1
Nooijen, M.2
Bernasek, S.L.3
Blaha, P.4
-
13
-
-
0037101139
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.66.035416
-
D. C. Sorescu, D. L. Thompson, M. M. Hurley, and C. F. Chabalowski, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.035416 66, 035416 (2002).
-
(2002)
Phys. Rev. B
, vol.66
, pp. 035416
-
-
Sorescu, D.C.1
Thompson, D.L.2
Hurley, M.M.3
Chabalowski, C.F.4
-
15
-
-
0036608944
-
-
SUSCAS 0039-6028 10.1016/S0039-6028(02)01182-2
-
A. Stibor, G. Kresse, A. Eichler, and J. Hafner, Surf. Sci. SUSCAS 0039-6028 10.1016/S0039-6028(02)01182-2 507, 99 (2002).
-
(2002)
Surf. Sci.
, vol.507
, pp. 99
-
-
Stibor, A.1
Kresse, G.2
Eichler, A.3
Hafner, J.4
-
16
-
-
0242468139
-
-
SUSCAS 0039-6028 10.1016/j.susc.2003.10.007
-
D. E. Jiang and E. A. Carter, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2003.10.007 547, 85 (2003).
-
(2003)
Surf. Sci.
, vol.547
, pp. 85
-
-
Jiang, D.E.1
Carter, E.A.2
-
17
-
-
19544366413
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.70.064102
-
D. E. Jiang and E. A. Carter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.064102 70, 064102 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 064102
-
-
Jiang, D.E.1
Carter, E.A.2
-
18
-
-
20544448178
-
-
CATTEA 0920-5861
-
D. C. Sorescu, Catal. Today CATTEA 0920-5861 105, 44 (2005).
-
(2005)
Catal. Today
, vol.105
, pp. 44
-
-
Sorescu, D.C.1
-
19
-
-
0035884078
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.115426
-
M. Eder, K. Terakura, and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.115426 64, 115426 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 115426
-
-
Eder, M.1
Terakura, K.2
Hafner, J.3
-
20
-
-
15744370733
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.045402
-
D. E. Jiang and E. A. Carter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.045402 71, 045402 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 045402
-
-
Jiang, D.E.1
Carter, E.A.2
-
21
-
-
84856127797
-
-
Ph.D. thesis. Eindhoven University of Technology
-
I. M. Ciobîca, Ph.D. thesis, Eindhoven University of Technology, 2002 (unpublished);
-
(2002)
-
-
Ciobîca, I.M.1
-
22
-
-
0037010034
-
-
JACSAT 0002-7863 10.1021/ja012759w
-
Z. Pan and P. Hu, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja012759w 124, 11568 (2002).
-
(2002)
J. Am. Chem. Soc.
, vol.124
, pp. 11568
-
-
Pan, Z.1
Hu, P.2
-
23
-
-
1642319356
-
-
JPCBFK 1089-5647
-
G. A. Morgan Jr., D. C. Sorescu, T. Zubkov, and J. T. Yates Jr., J. Phys. Chem. B JPCBFK 1089-5647 108, 3614 (2004).
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 3614
-
-
Morgan Jr., G.A.1
Sorescu, D.C.2
Zubkov, T.3
Yates Jr., J.T.4
-
24
-
-
0033208243
-
-
TOCAFI 1022-5528
-
M. Neurock, Top. Catal. TOCAFI 1022-5528 9, 135 (1999).
-
(1999)
Top. Catal.
, vol.9
, pp. 135
-
-
Neurock, M.1
-
25
-
-
22944486041
-
-
JCPSA6 0021-9606 10.1063/1.1829257
-
X.-Q. Gong, R. Raval, and P. Hu, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1829257 122, 024711 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 024711
-
-
Gong, X.-Q.1
Raval, R.2
Hu, P.3
-
27
-
-
35949007146
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.48.13115
-
G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.13115 48, 13115 (1993).
-
(1993)
Phys. Rev. B
, vol.48
, pp. 13115
-
-
Kresse, G.1
Hafner, J.2
-
28
-
-
0030190741
-
-
CMMSEM. 0927-0256. 10.1016/0927-0256(96)00008-0
-
G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
-
(1996)
Comput. Mater. Sci.
, vol.6
, pp. 15
-
-
Kresse, G.1
Furthmüller, J.2
-
29
-
-
2442537377
-
-
PRBMDO. 0163-1829. 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
30
-
-
20544463457
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.41.7892
-
D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, R7892 (1990).
-
(1990)
Phys. Rev. B
, vol.41
, pp. 7892
-
-
Vanderbilt, D.1
-
31
-
-
0028763270
-
-
JCOMEL 0953-8984 10.1088/0953-8984/6/40/015
-
G. Kresse and J. Hafner, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/6/40/015 6, 8245 (1994).
-
(1994)
J. Phys.: Condens. Matter
, vol.6
, pp. 8245
-
-
Kresse, G.1
Hafner, J.2
-
32
-
-
0000085248
-
-
PRBMDO. 0163-1829. 10.1103/PhysRevB.56.15629
-
E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.15629 56, 15629 (1997).
-
(1997)
Phys. Rev. B
, vol.56
, pp. 15629
-
-
Moroni, E.G.1
Kresse, G.2
Hafner, J.3
Furthmüller, J.4
-
33
-
-
23244460838
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.46.6671
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.6671 46, 6671 (1992).
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
34
-
-
25744460922
-
-
PRBMDO. 0163-1829. 10.1103/PhysRevB.50.17953
-
P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.17953 50, 17953 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
35
-
-
0011236321
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
38
-
-
1842816907
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188
-
H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
-
(1976)
Phys. Rev. B
, vol.13
, pp. 5188
-
-
Monkhorst, H.J.1
Pack, J.D.2
-
39
-
-
0000720337
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.40.3616
-
M. Methfessel and A. T. Paxton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.3616 40, 3616 (1989).
-
(1989)
Phys. Rev. B
, vol.40
, pp. 3616
-
-
Methfessel, M.1
Paxton, A.T.2
-
40
-
-
12844286241
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.47.558
-
G. Kresse and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.558 47, R558 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 558
-
-
Kresse, G.1
Hafner, J.2
-
41
-
-
84855420029
-
-
edited by B. J. Berne. G. Ciccotti, and. D. F. Coker. World Scientific, Singapore
-
H. Jónsson, G. Mills, and K. W. Jacobsen, in Classical Quantum Dynamics in Condensed Phase Simulations, edited by, B. J. Berne,,, G. Ciccotti,, and, D. F. Coker, (World Scientific, Singapore, 1998), p. 385.
-
(1998)
Classical Quantum Dynamics in Condensed Phase Simulations
, pp. 385
-
-
Jónsson, H.1
Mills, G.2
Jacobsen, K.W.3
-
43
-
-
0003998388
-
-
67th ed. edited by D. R. Lide (CRC, Boca Raton, FL
-
CRC Handbook of Chemistry and Physics, 67th ed. edited by, D. R. Lide, (CRC, Boca Raton, FL, 1983).
-
(1983)
CRC Handbook of Chemistry and Physics
-
-
-
44
-
-
0000215083
-
-
JCPSA6 0021-9606 10.1063/1.467306
-
J. A. Montgomery, Jr., J. W. Ochterski, and G. A. Petersson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.467306 101, 5900 (1994);
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900
-
-
Montgomery Jr., J.A.1
Ochterski, J.W.2
Petersson, G.A.3
-
46
-
-
0038722862
-
-
JCOMEL 0953-8984 10.1088/0953-8984/15/21/302
-
V. Blum, A. Schmidt, W. Meier, L. Hammer, and K. Heinz, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/15/21/302 15, 3517 (2003).
-
(2003)
J. Phys.: Condens. Matter
, vol.15
, pp. 3517
-
-
Blum, V.1
Schmidt, A.2
Meier, W.3
Hammer, L.4
Heinz, K.5
-
47
-
-
0006824026
-
-
SUSCAS 0039-6028 10.1016/0039-6028(85)91040-4
-
G. Panzner and W. Diekmann, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(85)91040-4 160, 253 (1985).
-
(1985)
Surf. Sci.
, vol.160
, pp. 253
-
-
Panzner, G.1
Diekmann, W.2
-
48
-
-
2542627141
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.67.214103
-
D. E. Jiang and E. A. Carter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.214103 67, 214103 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 214103
-
-
Jiang, D.E.1
Carter, E.A.2
-
49
-
-
0029393333
-
-
SUSCAS 0039-6028 10.1016/0039-6028(95)00597-8
-
W.-H. Huang and S. L. Bernasek, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(95)00597-8 339, 272 (1995).
-
(1995)
Surf. Sci.
, vol.339
, pp. 272
-
-
Huang, W.-H.1
Bernasek, S.L.2
-
51
-
-
0035449111
-
-
PRBMDO. 0163-1829. 10.1103/PhysRevB.64.094418
-
D. Spišák and J. Hafner, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.094418 64, 094418 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 094418
-
-
Spišák, D.1
Hafner, J.2
-
52
-
-
0023308811
-
-
LANGD5 0743-7463 10.1021/la00080a007
-
S. D. Cameron and D. J. Dwyer, Langmuir LANGD5 0743-7463 10.1021/la00080a007 4, 282 (1988).
-
(1988)
Langmuir
, vol.4
, pp. 282
-
-
Cameron, S.D.1
Dwyer, D.J.2
|