-
6
-
-
27644567385
-
-
Schooss, D.; Blom, M. N.; Parks, J. H.; von Issendorf, B.,; Haberland, H.; Kappes, M. M. Nano Lett. 2005, 5, 1972.
-
(2005)
Nano Lett
, vol.5
, pp. 1972
-
-
Schooss, D.1
Blom, M.N.2
Parks, J.H.3
von Issendorf, B.4
Haberland, H.5
Kappes, M.M.6
-
7
-
-
33644947043
-
-
Xing, X.; Danell, R. M.; Garzón I. L.; Michaelian, K.; Blom, M. N.; Burns, M. M.; Parks, J. H. Phys. Rev. B: Condens. Matter Mater. Phys. 2005, 72, 081405.
-
(2005)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.72
, pp. 081405
-
-
Xing, X.1
Danell, R.M.2
Garzón, I.L.3
Michaelian, K.4
Blom, M.N.5
Burns, M.M.6
Parks, J.H.7
-
12
-
-
25444433290
-
-
Ichihashi, M.; Corbett, C. A.; Hanmura, T.; Lisy, J. M.; Kondow, T. J. Phys. Chem. A 2005, 109, 7872.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7872
-
-
Ichihashi, M.1
Corbett, C.A.2
Hanmura, T.3
Lisy, J.M.4
Kondow, T.5
-
13
-
-
0042071607
-
-
Nepijiko, S. A.; Ievlev, D. N.; Schulze, W. Eur. Phys. J. D 2003, 24, 115.
-
(2003)
Eur. Phys. J. D
, vol.24
, pp. 115
-
-
Nepijiko, S.A.1
Ievlev, D.N.2
Schulze, W.3
-
14
-
-
19944427854
-
-
Celep, G.; Cottancin, E.; Lermé, J.; Pellarin, M.; Arnaud, L.; Huntzinger, J. R.; Vialle, J. L.; Broyer, M.; Palpant, B.; Boisron, O.; Mélinon, P. Phys. Rev. B: Condens. Matter Mater. Phys. 2004, 70, 165409.
-
(2004)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.70
, pp. 165409
-
-
Celep, G.1
Cottancin, E.2
Lermé, J.3
Pellarin, M.4
Arnaud, L.5
Huntzinger, J.R.6
Vialle, J.L.7
Broyer, M.8
Palpant, B.9
Boisron, O.10
Mélinon, P.11
-
16
-
-
0037154382
-
-
Darby, S.; Mortimer-Jones, T. V.; Johnston, R. L.; Roberts, C. J. Chem. Phys. 2002, 116, 1536.
-
(2002)
J. Chem. Phys
, vol.116
, pp. 1536
-
-
Darby, S.1
Mortimer-Jones, T.V.2
Johnston, R.L.3
Roberts, C.4
-
17
-
-
19544386125
-
-
Rossi, G.; Rapallo, A.; Mottet, C.; Fortunelli, A.; Baletto, F.; Ferrando, R. Phys. Rev. Lett. 2004, 93, 105503.
-
(2004)
Phys. Rev. Lett
, vol.93
, pp. 105503
-
-
Rossi, G.1
Rapallo, A.2
Mottet, C.3
Fortunelli, A.4
Baletto, F.5
Ferrando, R.6
-
18
-
-
85010244484
-
-
Ferrando, R.; Fortunelli, A.; Rossi, G. Phys. Rev. B: Condens. Matter Mater. Phys. 2005, 72, 085449.
-
(2005)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.72
, pp. 085449
-
-
Ferrando, R.1
Fortunelli, A.2
Rossi, G.3
-
19
-
-
85013922221
-
-
Rapallo, A.; Rossi, G.; Ferrando, R.; Fortunelli, A.; Curley, B. C.; Lloyd, L. D.; Tarbuck, G. M.; Johnston, R. L. J. Chem. Phys. 2005, 122, 194308.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 194308
-
-
Rapallo, A.1
Rossi, G.2
Ferrando, R.3
Fortunelli, A.4
Curley, B.C.5
Lloyd, L.D.6
Tarbuck, G.M.7
Johnston, R.L.8
-
20
-
-
0034868920
-
-
Pauwels, B.; Van Tendeloo, G.; Zhurkin, E.; Hou, M.; Verschoren, G.; Theil Kuhn, L.; Bouwen, W.; Lievens, P. Phys. Rev. B: Condens. Matter Mater. Phys. 2001, 63, 165406.
-
(2001)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.63
, pp. 165406
-
-
Pauwels, B.1
Van Tendeloo, G.2
Zhurkin, E.3
Hou, M.4
Verschoren, G.5
Theil Kuhn, L.6
Bouwen, W.7
Lievens, P.8
-
21
-
-
23744491258
-
-
Janssens, E.; Neukermans, S.; Wang, X.; Veldeman, N.; Silverans, R. E.; Lievens, P. Eur. Phys. J. D 2004, 34, 23.
-
(2004)
Eur. Phys. J. D
, vol.34
, pp. 23
-
-
Janssens, E.1
Neukermans, S.2
Wang, X.3
Veldeman, N.4
Silverans, R.E.5
Lievens, P.6
-
22
-
-
33644938408
-
-
Cazayous, M.; Langlois, C.; Oikawa, T.; Ricolleau, C.; Sacuto, A. Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 73, 113402.
-
(2006)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.73
, pp. 113402
-
-
Cazayous, M.1
Langlois, C.2
Oikawa, T.3
Ricolleau, C.4
Sacuto, A.5
-
24
-
-
0036882863
-
-
Massen, C.; Mortimer-Jones, T. V.; Johnston, R. L. J. Chem. Soc., Dalton Trans. 2002, 4375.
-
(2002)
J. Chem. Soc., Dalton Trans
, pp. 4375
-
-
Massen, C.1
Mortimer-Jones, T.V.2
Johnston, R.L.3
-
25
-
-
0345321791
-
-
Baletto, F.; Mottet, C.; Ferrando, R. Phys. Rev. Lett. 2003, 90, 135504.
-
(2003)
Phys. Rev. Lett
, vol.90
, pp. 135504
-
-
Baletto, F.1
Mottet, C.2
Ferrando, R.3
-
26
-
-
33645153570
-
-
Fromen, M. C.; Morillo, J.; Casanove, M. J.; Lecante, P. Europhys. Lett. 2006, 73, 885.
-
(2006)
Europhys. Lett
, vol.73
, pp. 885
-
-
Fromen, M.C.1
Morillo, J.2
Casanove, M.J.3
Lecante, P.4
-
27
-
-
46549095917
-
-
Katakuse, I.; Ichihara, T.; Fujita, Y.; Matsuo, T.; Sakurai, T.; Matsuda, H. Int. J. Mass. Spectrom. Ion Proc. 1985, 67, 229.
-
(1985)
Int. J. Mass. Spectrom. Ion Proc
, vol.67
, pp. 229
-
-
Katakuse, I.1
Ichihara, T.2
Fujita, Y.3
Matsuo, T.4
Sakurai, T.5
Matsuda, H.6
-
28
-
-
36449000057
-
-
Taylor, K. J.; Pettiette-Hall, C. L.; Cheshnovsky, O.; Smalley, R. E. J. Chem. Phys. 1992, 96, 3319.
-
(1992)
J. Chem. Phys
, vol.96
, pp. 3319
-
-
Taylor, K.J.1
Pettiette-Hall, C.L.2
Cheshnovsky, O.3
Smalley, R.E.4
-
29
-
-
33846074404
-
-
Jackschath, C.; Rabin, I.; Schulze, W. Z. Phys. D: Amsterdam, Neth. 1992, 22, 517.
-
(1992)
Phys. D: Amsterdam, Neth
, vol.22
, pp. 517
-
-
Jackschath, C.1
Rabin, I.2
Schulze, W.Z.3
-
30
-
-
0000920095
-
-
Alameddin, G.; Hunter, J.; Cameron, D.; Kappes, M. M. Chem. Phys. Lett. 1992, 192, 122.
-
(1992)
Chem. Phys. Lett
, vol.192
, pp. 122
-
-
Alameddin, G.1
Hunter, J.2
Cameron, D.3
Kappes, M.M.4
-
31
-
-
0000488033
-
-
Cha, C.-Y.; Ganteför, G.; Eberhardt, W. J. J. Chem. Phys. 1993, 99, 6308.
-
(1993)
J. Chem. Phys
, vol.99
, pp. 6308
-
-
Cha, C.-Y.1
Ganteför, G.2
Eberhardt, W.J.3
-
32
-
-
0000886099
-
-
Handschuh, H.; Bechthold, P. S.; Ganteför, G.; Eberhardt, W. J. J. Chem. Phys. 1994, 100, 7093.
-
(1994)
J. Chem. Phys
, vol.100
, pp. 7093
-
-
Handschuh, H.1
Bechthold, P.S.2
Ganteför, G.3
Eberhardt, W.J.4
-
37
-
-
0034602079
-
-
Hirsch, A.; Chen, Z.; Jiao, H. Angew. Chem., Int. Ed. 2000, 39, 3915.
-
(2000)
Angew. Chem., Int. Ed
, vol.39
, pp. 3915
-
-
Hirsch, A.1
Chen, Z.2
Jiao, H.3
-
39
-
-
84991328264
-
-
Rossi, G.; Ferrando, R.; Rapallo, A., Fortunelli, A.; Curley, B. C.; Lloyd, L. D.; Johnston, R. L. J. Chem. Phys. 2005, 122, 194309.
-
(2005)
J. Chem. Phys
, vol.122
, pp. 194309
-
-
Rossi, G.1
Ferrando, R.2
Rapallo, A.3
Fortunelli, A.4
Curley, B.C.5
Lloyd, L.D.6
Johnston, R.L.7
-
40
-
-
33646722423
-
-
Aprà, E.; Ferrando, R.; Fortunelli, A. Phys. Rev. B: Condens. Matter Mater. Phys. 2006, 73, 205414.
-
(2006)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.73
, pp. 205414
-
-
Aprà, E.1
Ferrando, R.2
Fortunelli, A.3
-
45
-
-
0000378140
-
-
Meunier, I.; Tréglia, G.; Gay, J. M.; Aufray, B.; Legrand, B. Phys. Rev. B: Condens. Matter Mater. Phys. 1999, 50, 10910.
-
(1999)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.50
, pp. 10910
-
-
Meunier, I.1
Tréglia, G.2
Gay, J.M.3
Aufray, B.4
Legrand, B.5
-
49
-
-
85013893451
-
-
ELP and PEW are especially suited for exploring potential energy surfaces exhibiting structurally different basins of attraction and require the use of an order parameter. As order parameter we have chosen the number of heterogeneous AgCu nearest-neighbor bonds to differentiate the various structural families
-
ELP and PEW are especially suited for exploring potential energy surfaces exhibiting structurally different basins of attraction and require the use of an order parameter. As order parameter we have chosen the number of heterogeneous AgCu nearest-neighbor bonds to differentiate the various structural families.
-
-
-
-
50
-
-
85013905478
-
-
Aprà, E. et al. NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7; Pacific Northwest National Laboratory: Richland, WA, USA, 2005
-
Aprà, E. et al. NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.7; Pacific Northwest National Laboratory: Richland, WA, USA, 2005.
-
-
-
-
52
-
-
23244460838
-
-
Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; C. Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
-
Perdew, J. P.; Chevary, J. A.; Vosko, S. H.; Jackson, K. A.; Pederson, M. R.; Singh, D. J.; C. Fiolhais, C. Phys. Rev. B 1992, 46, 6671.
-
-
-
-
53
-
-
84862292144
-
-
Schaefer, A.; Huber, C.; Ahlrichs, R. J. Chem. Phvs. 1994, 100, 5289.
-
(1994)
Chem. Phvs
, vol.100
, pp. 5289
-
-
Schaefer, A.1
Huber, C.2
Ahlrichs, R.J.3
-
54
-
-
11744322674
-
-
Andrae, D.; Haeussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 123
-
-
Andrae, D.1
Haeussermann, U.2
Dolg, M.3
Stoll, H.4
Preuss, H.5
-
55
-
-
36549092018
-
-
Dolg, M.; Wedig, U.; Stoll, H.; Preuss, H. J. Chem. Phys. 1987, 86, 866.
-
(1987)
J. Chem. Phys
, vol.86
, pp. 866
-
-
Dolg, M.1
Wedig, U.2
Stoll, H.3
Preuss, H.4
-
56
-
-
85013957110
-
-
ftp://ftp.chemie.uni-karlsruhe.de/pub/basen.
-
-
-
-
58
-
-
85013898018
-
-
Courtesy of Dr. Florian Weigend, Karlsruhe, Germany
-
Courtesy of Dr. Florian Weigend, Karlsruhe, Germany.
-
-
-
-
59
-
-
0000162922
-
-
(a) Elsässer, C.; Fähnle, M.; Chan, C. T.; Ho, K. M. Phys. Rev. B: Condens. Matter Mater. Phys. 1994, 49, 13975.
-
(1994)
Phys. Rev. B: Condens. Matter Mater. Phys
, vol.49
, pp. 13975
-
-
Elsässer, C.1
Fähnle, M.2
Chan, C.T.3
Ho, K.M.4
-
63
-
-
85013943937
-
-
We chose A, 10.9 eV and r0, 5.6 Å, such that the Extended Hückel DOS around the Fermi level optimally matches the DFT DOS
-
0 = 5.6 Å, such that the Extended Hückel DOS around the Fermi level optimally matches the DFT DOS.
-
-
-
|