-
1
-
-
0026260075
-
-
H. Gutleben, S. R. Lucas, C. C. Cheng, W. J. Choyke, and J. T. Yates, Jr., Surf. Sci. 257, 146 (1991).
-
(1991)
Surf. Sci.
, vol.257
, pp. 146
-
-
Gutleben, H.1
Lucas, S.R.2
Cheng, C.C.3
Choyke, W.J.4
Yates J.T., Jr.5
-
5
-
-
0029486629
-
-
H. D. Jeong, S. Ryu, Y. S. Lee, and S. Kim, Surf. Sci. 344, L1226 (1995).
-
(1995)
Surf. Sci.
, vol.344
-
-
Jeong, H.D.1
Ryu, S.2
Lee, Y.S.3
Kim, S.4
-
8
-
-
4243606192
-
-
R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); we have used the code CPMD, versions 3.0, 3.3, and 3.5, developed by J. Hutter et al., at MPI für Festkörperforschung and IBM Research Laboratory (1990-2001).
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
-
-
Car, R.1
Parrinello, M.2
-
9
-
-
4243606192
-
-
note
-
R. Car and M. Parrinello, Phys. Rev. Lett. 55, 2471 (1985); we have used the code CPMD, versions 3.0, 3.3, and 3.5, developed by J. Hutter et al., at MPI für Festkörperforschung and IBM Research Laboratory (1990-2001).
-
-
-
-
10
-
-
4243553426
-
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. C. Parr, Phys. Rev. B 37, 785 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
11
-
-
0345491105
-
-
A. D. Becke, Phys. Rev. A 38, 3098 (1988); C. Lee, W. Yang, and R. C. Parr, Phys. Rev. B 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.C.3
-
13
-
-
0000095414
-
-
P. Nachtigall, K. D. Jordan, A. Smith, and H. Jónsson, J. Chem. Phys. 104, 148 (1996).
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 148
-
-
Nachtigall, P.1
Jordan, K.D.2
Smith, A.3
Jónsson, H.4
-
18
-
-
0034513054
-
-
G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys. 113, 9901 (2000); G. Henkelman and H. Jónsson, ibid. 113, 9978 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9901
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jónsson, H.3
-
19
-
-
1242329035
-
-
G. Henkelman, B. P. Uberuaga, and H. Jónsson, J. Chem. Phys. 113, 9901 (2000); G. Henkelman and H. Jónsson, ibid. 113, 9978 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9978
-
-
Henkelman, G.1
Jónsson, H.2
-
22
-
-
0001652762
-
-
F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998); A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, ibid. 112, 1670 (2000); A. D. Boese and N. C. Handy, ibid. 114, 5497 (2001).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 6264
-
-
Hamprecht, F.A.1
Cohen, A.J.2
Tozer, D.J.3
Handy, N.C.4
-
23
-
-
0346189340
-
-
F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998); A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, ibid. 112, 1670 (2000); A. D. Boese and N. C. Handy, ibid. 114, 5497 (2001).
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 1670
-
-
Boese, A.D.1
Doltsinis, N.L.2
Handy, N.C.3
Sprik, M.4
-
24
-
-
0035309319
-
-
F. A. Hamprecht, A. J. Cohen, D. J. Tozer, and N. C. Handy, J. Chem. Phys. 109, 6264 (1998); A. D. Boese, N. L. Doltsinis, N. C. Handy, and M. Sprik, ibid. 112, 1670 (2000); A. D. Boese and N. C. Handy, ibid. 114, 5497 (2001).
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 5497
-
-
Boese, A.D.1
Handy, N.C.2
-
28
-
-
0027724485
-
-
J. J. Boland, Science 262, 1703 (1993).
-
(1993)
Science
, vol.262
, pp. 1703
-
-
Boland, J.J.1
-
29
-
-
0001410418
-
-
A. I. Shkrebtii, R. Di Felice, C. M. Bertoni, and R. Del Sole, Phys. Rev. B 51, 11201 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 11201
-
-
Shkrebtii, A.I.1
Di Felice, R.2
Bertoni, C.M.3
Del Sole, R.4
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