-
1
-
-
41049092893
-
-
JCPSA6 0021-9606,. 10.1063/1.2894301
-
F. R. Laffir, V. Fiorin, and D. A. King, J. Chem. Phys. JCPSA6 0021-9606 128, 114717 (2008). 10.1063/1.2894301
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 114717
-
-
Laffir, F.R.1
Fiorin, V.2
King, D.A.3
-
2
-
-
69149092658
-
-
JCPSA6 0021-9606,. 10.1063/1.3204700
-
T. Panczyk, V. Fiorin, R. Blanco-Alemany, and D. A. King, J. Chem. Phys. JCPSA6 0021-9606 131, 064703 (2009). 10.1063/1.3204700
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 064703
-
-
Panczyk, T.1
Fiorin, V.2
Blanco-Alemany, R.3
King, D.A.4
-
3
-
-
36749113534
-
-
JCPSA6 0021-9606,. 10.1063/1.432526
-
S. A. Adelman and J. D. Doll, J. Chem. Phys. JCPSA6 0021-9606 64, 2375 (1976). 10.1063/1.432526
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 2375
-
-
Adelman, S.A.1
Doll, J.D.2
-
4
-
-
0001646742
-
-
ARPLAP 0066-426X,. 10.1146/annurev.pc.31.100180.001535
-
J. C. Tully, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 31, 319 (1980). 10.1146/annurev.pc.31.100180.001535
-
(1980)
Annu. Rev. Phys. Chem.
, vol.31
, pp. 319
-
-
Tully, J.C.1
-
6
-
-
0000597091
-
-
ARPLAP 0066-426X,. 10.1146/annurev.physchem.51.1.153
-
J. C. Tully, Annu. Rev. Phys. Chem. ARPLAP 0066-426X 51, 153 (2000). 10.1146/annurev.physchem.51.1.153
-
(2000)
Annu. Rev. Phys. Chem.
, vol.51
, pp. 153
-
-
Tully, J.C.1
-
7
-
-
20844460333
-
-
CHREAY 0009-2665,. 10.1021/cr00077a003
-
R. B. Gerber, Chem. Rev. (Washington, D.C.) CHREAY 0009-2665 87, 29 (1987). 10.1021/cr00077a003
-
(1987)
Chem. Rev. (Washington, D.C.)
, vol.87
, pp. 29
-
-
Gerber, R.B.1
-
8
-
-
36449007101
-
-
JCPSA6 0021-9606,. 10.1063/1.469915
-
M. Head-Gordon and J. C. Tully, J. Chem. Phys. JCPSA6 0021-9606 103, 10137 (1995). 10.1063/1.469915
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 10137
-
-
Head-Gordon, M.1
Tully, J.C.2
-
9
-
-
0041879930
-
-
JCPSA6 0021-9606,. 10.1063/1.1593631
-
J. R. Trail, D. M. Bird, M. Persson, and S. Holloway, J. Chem. Phys. JCPSA6 0021-9606 119, 4539 (2003). 10.1063/1.1593631
-
(2003)
J. Chem. Phys.
, vol.119
, pp. 4539
-
-
Trail, J.R.1
Bird, D.M.2
Persson, M.3
Holloway, S.4
-
10
-
-
48349135900
-
-
SUSCAS 0039-6028,. 10.1016/j.susc.2008.06.015
-
M. S. Mizielinski, D. M. Bird, M. Person, and S. Holloway, Surf. Sci. SUSCAS 0039-6028 602, 2617 (2008). 10.1016/j.susc.2008.06.015
-
(2008)
Surf. Sci.
, vol.602
, pp. 2617
-
-
Mizielinski, M.S.1
Bird, D.M.2
Person, M.3
Holloway, S.4
-
11
-
-
40649111319
-
-
SUSCAS 0039-6028,. 10.1016/j.susc.2008.01.026
-
D. M. Bird, M. S. Mizielinski, M. Lindenblatt, and E. Pehlke, Surf. Sci. SUSCAS 0039-6028 602, 1212 (2008). 10.1016/j.susc.2008.01.026
-
(2008)
Surf. Sci.
, vol.602
, pp. 1212
-
-
Bird, D.M.1
Mizielinski, M.S.2
Lindenblatt, M.3
Pehlke, E.4
-
12
-
-
0037457367
-
-
SUSCAS 0039-6028,. 10.1016/S0039-6028(02)02604-3
-
J. Harnett, S. Haq, and A. Hodgson, Surf. Sci. SUSCAS 0039-6028 528, 15 (2003). 10.1016/S0039-6028(02)02604-3
-
(2003)
Surf. Sci.
, vol.528
, pp. 15
-
-
Harnett, J.1
Haq, S.2
Hodgson, A.3
-
13
-
-
0002781670
-
-
SUSCAS 0039-6028,. 10.1016/S0039-6028(00)00932-8
-
K. Jacobi, K. Bedurftig, Y. Wang, and G. Ertl, Surf. Sci. SUSCAS 0039-6028 472, 9 (2001). 10.1016/S0039-6028(00)00932-8
-
(2001)
Surf. Sci.
, vol.472
, pp. 9
-
-
Jacobi, K.1
Bedurftig, K.2
Wang, Y.3
Ertl, G.4
-
14
-
-
0034789429
-
-
JACSAT 0002-7863,. 10.1021/ja003576x
-
A. Michaelides and P. Hu, J. Am. Chem. Soc. JACSAT 0002-7863 123, 4235 (2001). 10.1021/ja003576x
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 4235
-
-
Michaelides, A.1
Hu, P.2
-
15
-
-
44049108867
-
-
JPCCCK 1932-7447,. 10.1021/jp711588v
-
M. Gladys, O. R. Inderwildi, S. Karakatsani, V. Fiorin, and G. Held, J. Phys. Chem. C JPCCCK 1932-7447 112, 6422 (2008). 10.1021/jp711588v
-
(2008)
J. Phys. Chem. C
, vol.112
, pp. 6422
-
-
Gladys, M.1
Inderwildi, O.R.2
Karakatsani, S.3
Fiorin, V.4
Held, G.5
-
16
-
-
36749107785
-
-
JCPSA6 0021-9606,. 10.1063/1.439486
-
H. C. Andersen, J. Chem. Phys. JCPSA6 0021-9606 72, 2384 (1980). 10.1063/1.439486
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 2384
-
-
Andersen, H.C.1
-
17
-
-
0033546455
-
-
EULEEJ 0295-5075,. 10.1209/epl/i1999-00365-x
-
C. P. Lowe, Europhys. Lett. EULEEJ 0295-5075 47, 145 (1999). 10.1209/epl/i1999-00365-x
-
(1999)
Europhys. Lett.
, vol.47
, pp. 145
-
-
Lowe, C.P.1
-
18
-
-
27144496013
-
-
PRLTAO 0031-9007,. 10.1103/PhysRevLett.95.044501
-
S. Jakobtorweihen, M. G. Verbeek, C. P. Lowe, F. J. Keil, and B. Smit, Phys. Rev. Lett. PRLTAO 0031-9007 95, 044501 (2005). 10.1103/PhysRevLett.95. 044501
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 044501
-
-
Jakobtorweihen, S.1
Verbeek, M.G.2
Lowe, C.P.3
Keil, F.J.4
Smit, B.5
-
19
-
-
4243943295
-
-
PRLTAO 0031-9007,. 10.1103/PhysRevLett.77.3865
-
J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
20
-
-
0037171005
-
-
JCOMEL 0953-8984,. 10.1088/0953-8984/14/11/301
-
M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter JCOMEL 0953-8984 14, 2717 (2002). 10.1088/0953-8984/14/11/301
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2717
-
-
Segall, M.D.1
Lindan, P.J.D.2
Probert, M.J.3
Pickard, C.J.4
Hasnip, P.J.5
Clark, S.J.6
Payne, M.C.7
-
21
-
-
0004016501
-
-
JCPSA6 0021-9606,. 10.1063/1.445869
-
W. L. Jorgensen, J. Chandrasekhar, J. D. Madura, R. W. Impey, and M. L. Klein, J. Chem. Phys. JCPSA6 0021-9606 79, 926 (1983). 10.1063/1.445869
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 926
-
-
Jorgensen, W.L.1
Chandrasekhar, J.2
Madura, J.D.3
Impey, R.W.4
Klein, M.L.5
-
23
-
-
33947267054
-
-
CHPLBC 0009-2614,. 10.1016/j.cplett.2007.02.028
-
F. Pirani, D. Cappelletti, M. Bartolomei, V. Aquilanti, G. Demarchi, P. Tosi, and M. Scotoni, Chem. Phys. Lett. CHPLBC 0009-2614 437, 176 (2007). 10.1016/j.cplett.2007.02.028
-
(2007)
Chem. Phys. Lett.
, vol.437
, pp. 176
-
-
Pirani, F.1
Cappelletti, D.2
Bartolomei, M.3
Aquilanti, V.4
Demarchi, G.5
Tosi, P.6
Scotoni, M.7
-
24
-
-
33751155506
-
-
JPCHAX 0022-3654,. 10.1021/j100037a008
-
V. Aquilanti, D. Ascenzi, D. Cappelletti, and F. Pirani, J. Phys. Chem. JPCHAX 0022-3654 99, 13620 (1995). 10.1021/j100037a008
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 13620
-
-
Aquilanti, V.1
Ascenzi, D.2
Cappelletti, D.3
Pirani, F.4
-
25
-
-
77956247031
-
-
See supplementary material at E-JCPSA6-133-013026 for more calculation results
-
See supplementary material at http://dx.doi.org/10.1063/1.3459060 E-JCPSA6-133-013026 for more calculation results.
-
-
-
|