-
2
-
-
4043154380
-
-
(b) Yin, X.; Hong, L.; Chen, B.-H. J. Phys. Chem. B 2004, 108, 10919.
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 10919
-
-
Yin, X.1
Hong, L.2
Chen, B.-H.3
-
5
-
-
34247843032
-
-
Tachikawa, T.; Fujitsuka, M.; Majima, T. J. Phys. Chem. C 2007, 111, 5259.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 5259
-
-
Tachikawa, T.1
Fujitsuka, M.2
Majima, T.3
-
8
-
-
84962346335
-
-
Chapter 13 of ref 4
-
Chapter 13 of ref 4.
-
-
-
-
12
-
-
3342945983
-
-
Fayet, P.; Granzer, F.; Hegenbart, G.; Moisar, E.; Pischel, B.; Woste, L. Phys. Rev. Lett. 1985, 55, 3002.
-
(1985)
Phys. Rev. Lett
, vol.55
, pp. 3002
-
-
Fayet, P.1
Granzer, F.2
Hegenbart, G.3
Moisar, E.4
Pischel, B.5
Woste, L.6
-
19
-
-
15744374461
-
-
Taylor, K. J.; Pettiette-Hall, C. L.; Cheshnovsky, O.; Smalley, R. E. J. Phys. Chem. 1991, 96, 3319.
-
(1991)
J. Phys. Chem
, vol.96
, pp. 3319
-
-
Taylor, K.J.1
Pettiette-Hall, C.L.2
Cheshnovsky, O.3
Smalley, R.E.4
-
22
-
-
0001758551
-
-
Bonacic-Koutecky, V.; Cespiva, L.; Fantucci, P.; Koutecky, J. J. Chem. Phys. 1993, 98, 7981.
-
(1993)
J. Chem. Phys
, vol.98
, pp. 7981
-
-
Bonacic-Koutecky, V.1
Cespiva, L.2
Fantucci, P.3
Koutecky, J.4
-
24
-
-
3643105913
-
-
Kawasaki, M.; Tsiymuria, Y.; Hada, H. Phys. Rev. Lett. 1986, 57, 2796.
-
(1986)
Phys. Rev. Lett
, vol.57
, pp. 2796
-
-
Kawasaki, M.1
Tsiymuria, Y.2
Hada, H.3
-
27
-
-
84962346286
-
-
Belloni, J.; C. R., Phys. 2002, 3, 1.
-
(a) Belloni, J.; C. R., Phys. 2002, 3, 1.
-
-
-
-
30
-
-
0037436556
-
-
Bell, A. T. Science 2003, 299, 1688.
-
(2003)
Science
, vol.299
, pp. 1688
-
-
Bell, A.T.1
-
31
-
-
0001238242
-
-
Trevor, D. J.; Cox, D. M.; Kaldor, A. J. J. Am. Chem. Soc. 1990, 112, 3742.
-
(1990)
J. Am. Chem. Soc
, vol.112
, pp. 3742
-
-
Trevor, D.J.1
Cox, D.M.2
Kaldor, A.J.3
-
33
-
-
0041930985
-
-
Socaciu, L. D.; Hagen, J.; Bernhardt, T. M.; Woste, L.; Heiz, U.; Hakkinen, H.; Landman, U. J. Am. Chem. Soc. 2003, 125, 10437.
-
(2003)
J. Am. Chem. Soc
, vol.125
, pp. 10437
-
-
Socaciu, L.D.1
Hagen, J.2
Bernhardt, T.M.3
Woste, L.4
Heiz, U.5
Hakkinen, H.6
Landman, U.7
-
34
-
-
0000769907
-
-
Sanchez, A.; Abbet, S.; Heiz, U.; Schneider, W.-D.; Hakkinen, H.; Barnett, R. N.; Landman, U. J. Phys. Chem. A 1999, 103, 9573.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 9573
-
-
Sanchez, A.1
Abbet, S.2
Heiz, U.3
Schneider, W.-D.4
Hakkinen, H.5
Barnett, R.N.6
Landman, U.7
-
36
-
-
84946893847
-
-
(a) Miertus, S.; Scrocce, E.; Tomasi, J. J. Chem. Phys. 1981, 55, 117.
-
(1981)
J. Chem. Phys
, vol.55
, pp. 117
-
-
Miertus, S.1
Scrocce, E.2
Tomasi, J.3
-
37
-
-
0031553301
-
-
(b) Mennucci, B.; Canees, E.; Tomasi, J. J. Phys. Chem. B 1997, 101, 10506.
-
(1997)
J. Phys. Chem. B
, vol.101
, pp. 10506
-
-
Mennucci, B.1
Canees, E.2
Tomasi, J.3
-
38
-
-
84961980477
-
-
(c) Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999.
-
(2005)
Chem. Rev
, vol.105
, pp. 2999
-
-
Tomasi, J.1
Mennucci, B.2
Cammi, R.3
-
41
-
-
0030218268
-
-
(c) Barbara, P. F.; Meyer, T. J.; Ratner, M. A. J. Phys. Chem. 1996, 100, 13148.
-
(1996)
J. Phys. Chem
, vol.100
, pp. 13148
-
-
Barbara, P.F.1
Meyer, T.J.2
Ratner, M.A.3
-
44
-
-
0033904438
-
-
(a) Sushko, P. V.; Shluger, A. L.; Catlow, C. R. A. Surf. Sci. 2000, 450, 153.
-
(2000)
Surf. Sci
, vol.450
, pp. 153
-
-
Sushko, P.V.1
Shluger, A.L.2
Catlow, C.R.A.3
-
45
-
-
84962458815
-
-
Sushko, P. V. Development and Application of Embedded Cluster Methodologies for Defects in Ionic Materials, Ph. D. Thesis, University of London, 2001.
-
(b) Sushko, P. V. Development and Application of Embedded Cluster Methodologies for Defects in Ionic Materials, Ph. D. Thesis, University of London, 2001.
-
-
-
-
46
-
-
18744375159
-
-
(c) Sushko, P. V.; Mukhopadhyay, S.; Mysovsky, A. S.; Sulimov, V. B.; Taga, A.; Shluger, A. L. J. Phys.: Condens. Matter 2005, 17, S2115.
-
(2005)
J. Phys.: Condens. Matter
, vol.17
-
-
Sushko, P.V.1
Mukhopadhyay, S.2
Mysovsky, A.S.3
Sulimov, V.B.4
Taga, A.5
Shluger, A.L.6
-
49
-
-
79954573556
-
-
Catlow, C. R. A.; Corish, J.; Harding, J. H.; Jacobs, P. W. M. Philos. Mag. A 1987, 55, 481.
-
(1987)
Philos. Mag. A
, vol.55
, pp. 481
-
-
Catlow, C.R.A.1
Corish, J.2
Harding, J.H.3
Jacobs, P.W.M.4
-
50
-
-
4243553426
-
-
(a) Becke, A. D. Phys. Rev. 1988, A33, 3098.
-
(1988)
Phys. Rev
, vol.A33
, pp. 3098
-
-
Becke, A.D.1
-
51
-
-
0345491105
-
-
(b) Lee, C.; Wang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev
, vol.B37
, pp. 785
-
-
Lee, C.1
Wang, W.2
Parr, R.G.3
-
52
-
-
84962432096
-
-
Frisch, M. J, Trucks, G. W, Schlegel, H. B, Scuseria, G. E, Robb, M. A, Cheeseman, J. R, Montgomery, Jr, J. A, Vreven, T, Kudin, K. N, Burant, J. C, Millam, J. M, Iyengar, S. S, Tomasi, J, Barone, V, Mennucci, B, Cossi, M, Scalmani, G, Rega, N, Petersson, G. A, Nakatsuji, H, Hada, M, Ehara, M, Toyota, K, Fukuda, R, Hasegawa, J, Ishida, M, Nakajima, T, Honda, Y, Kitao, O, Nakai, H, Klene, M, Li, X, Knox, J. E, Hratchian, H. P, Cross, J. B, Bakken, V, Adamo, C, Jaramillo, J, Gomperts, R, Stratmann, R. E, Yazyev, O, Austin, A. J, Cammi, R, Pomelli, C, Ochterski, J. W, Ayala, P. Y, Morokuma, K, Voth, G. A, Salvador, P, Dannenberg, J. J, Zakrzewski, V. G, Dapprich, S, Daniels, A. D, Strain, M. C, Farkas, O, Malick, D. K, Rabuck, A. D, Raghavachari, K, Foresman, J. B, Ortiz, J. V, Cui, Q, Baboul, A. G, Clifford, S, Cioslowski, J, Stefanov, B. B, Liu, G, Liashenko, A, Piskorz, P, Komaromi, I, Martin, R. L, Fox, D. J.;
-
, Frisch, M. J. ; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, Jr., J. A.; Vreven, T.; Kudin, K. N. ; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y. ; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; and Pople, J. A. Gaussian 03, Revision C.02; Gaussian, Inc.: Wallingford, CT, 2004.
-
-
-
-
53
-
-
84961981991
-
-
Barone, V.; Cossi, M.; Tomasi, J. J. Chem. Phys. 1997, 107, 3210.
-
(1997)
J. Chem. Phys
, vol.107
, pp. 3210
-
-
Barone, V.1
Cossi, M.2
Tomasi, J.3
-
56
-
-
5444246559
-
-
Gaussian Inc, Carnegie, PA
-
Frisch, A. E.; Frisch, M. J.; Trucks, G. W. Gaussian 03 User's Reference; Gaussian Inc.: Carnegie, PA, 2003.
-
(2003)
Gaussian 03 User's Reference
-
-
Frisch, A.E.1
Frisch, M.J.2
Trucks, G.W.3
-
57
-
-
33845281547
-
-
Nelson, S. F.; Blackenstock, S. C.; Kim, Y. J. Am. Chem. Soc. 1987, 109, 677.
-
(1987)
J. Am. Chem. Soc
, vol.109
, pp. 677
-
-
Nelson, S.F.1
Blackenstock, S.C.2
Kim, Y.3
-
59
-
-
34547312761
-
-
Gronbeck, H.; Hellman, A.; Gavrin, A. J. Phys. Chem. A 2007, 111, 6062.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 6062
-
-
Gronbeck, H.1
Hellman, A.2
Gavrin, A.3
|