-
2
-
-
0004015507
-
-
Scmid, G., Ed.; VCH: Weinheim, Germany
-
(b) Clusters and Colloids; Scmid, G., Ed.; VCH: Weinheim, Germany, 1994.
-
(1994)
Clusters and Colloids
-
-
-
3
-
-
0004196433
-
-
Klabunde, K. J., Ed.; Wiley: New York
-
Nanoscale Materials in Chemistry; Klabunde, K. J., Ed.; Wiley: New York, 2001.
-
(2001)
Nanoscale Materials in Chemistry
-
-
-
6
-
-
4544365854
-
-
For a recent comprehensive review on theoretical chemistry of gold
-
For a recent comprehensive review on theoretical chemistry of gold, see: Pyykkö, P. Angew. Chem., Int. Ed. 2004, 43, 4412;
-
(2004)
Angew. Chem., Int. Ed.
, vol.43
, pp. 4412
-
-
Pyykkö, P.1
-
7
-
-
13644282050
-
-
Angew. Chem. 2004, 116, 4512.
-
(2004)
Angew. Chem.
, vol.116
, pp. 4512
-
-
-
8
-
-
0003659464
-
-
Kreibig, U., Vollmer, M., Eds.; Springer-Verlag: New York
-
(a) Optical Properties of Metal Clusters; Kreibig, U., Vollmer, M., Eds.; Springer-Verlag: New York, 1995.
-
(1995)
Optical Properties of Metal Clusters
-
-
-
9
-
-
36449000057
-
-
(a) 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
-
10
-
-
0037109547
-
-
(b) Furche, F.; Ahlrichs, R.; Weis, P.; Jacob, C.; Gilb, S.; Bierweiler, T.; Kappes, M. M. J. Chem. Phys. 2002, 117, 6982.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 6982
-
-
Furche, F.1
Ahlrichs, R.2
Weis, P.3
Jacob, C.4
Gilb, S.5
Bierweiler, T.6
Kappes, M.M.7
-
11
-
-
0041887221
-
-
Häkkinen, H.; Yoon, B.; Landman, U.; Li, X.; Zhai, H.-J.; Wang, L.-S. J. Phys. Chem. A 2003, 107, 6168.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 6168
-
-
Häkkinen, H.1
Yoon, B.2
Landman, U.3
Li, X.4
Zhai, H.-J.5
Wang, L.-S.6
-
12
-
-
0141441946
-
-
Häkkinen, H.; Abbet, S.; Sanchez, A.; Heiz, U.; Landman, U. Angew. Chem., Int. Ed. 2003, 42, 1297;
-
(2003)
Angew. Chem., Int. Ed.
, vol.42
, pp. 1297
-
-
Häkkinen, H.1
Abbet, S.2
Sanchez, A.3
Heiz, U.4
Landman, U.5
-
13
-
-
4243343806
-
-
Angew. Chem. 2003, 115, 1335.
-
(2003)
Angew. Chem.
, vol.115
, pp. 1335
-
-
-
14
-
-
19544376318
-
-
(e) Häkkinen, H.; Moseler, M.; Kostko, O.; Morgner, N.; Hoffman, M. A.; Issendorff, B.v. Phys. Rev. Lett. 2004, 93, 093401.
-
(2004)
Phys. Rev. Lett.
, vol.93
, pp. 093401
-
-
Häkkinen, H.1
Moseler, M.2
Kostko, O.3
Morgner, N.4
Hoffman, M.A.5
Issendorff, B.V.6
-
15
-
-
27644567385
-
-
(f) Schooss, D.; Blom, M. N.; Parks, J. M.; Issendorff, B. v.; 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.M.3
Issendorff, B.V.4
Haberland, H.5
Kappes, M.M.6
-
16
-
-
84982504641
-
-
Early reports dealt with stabilization of the gold core by phosphines
-
(a) Early reports dealt with stabilization of the gold core by phosphines; see: Schmid, G.; Pfeil, R.; Boese, R.; Bandermann, F.; Meyer, S.; Calis, G. H. M.; van der Welden, J. W. A. Chem. Ber. 1981, 114, 3634.
-
(1981)
Chem. Ber.
, vol.114
, pp. 3634
-
-
Schmid, G.1
Pfeil, R.2
Boese, R.3
Bandermann, F.4
Meyer, S.5
Calis, G.H.M.6
Van Der Welden, J.W.A.7
-
17
-
-
37049074842
-
-
For the so-called Brust-Schiffrin synthesis for thiolate-stabilized gold nanoparticles
-
(b) For the so-called Brust-Schiffrin synthesis for thiolate-stabilized gold nanoparticles, see: Brust, M.; Walker, M.; Bethell, D.; Schriffm, D. J.; Whyman, R. J. Chem. Soc., Chem. Commun. 1994, 801.
-
(1994)
J. Chem. Soc., Chem. Commun.
, pp. 801
-
-
Brust, M.1
Walker, M.2
Bethell, D.3
Schriffm, D.J.4
Whyman, R.5
-
18
-
-
0030143162
-
-
Whetten, R. L.; Khoury, J. T.; Alvarez, M. M.; Murthy, S.; Vezmar, I.; Wang, Z. L.; Stephen, P. W.; Cleveland, C. L.; Luedtke, W. D.; Landman, U. Adv. Mater. 1996, 5, 428.
-
(1996)
Adv. Mater.
, vol.5
, pp. 428
-
-
Whetten, R.L.1
Khoury, J.T.2
Alvarez, M.M.3
Murthy, S.4
Vezmar, I.5
Wang, Z.L.6
Stephen, P.W.7
Cleveland, C.L.8
Luedtke, W.D.9
Landman, U.10
-
19
-
-
20444426549
-
-
Balasubramanian, R.; Guo, R.; Mills, A. J.; Murray, R. W. J. Am. Chem. Soc. 2005, 127, 8126.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 8126
-
-
Balasubramanian, R.1
Guo, R.2
Mills, A.J.3
Murray, R.W.4
-
20
-
-
25844483822
-
-
Shichibu, Y.; Negishi, Y.; Tsukuda, T.; Teranishi, T. J. Am. Chem. Soc. 2005, 127, 13464.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 13464
-
-
Shichibu, Y.1
Negishi, Y.2
Tsukuda, T.3
Teranishi, T.4
-
21
-
-
13944251653
-
-
For a detailed study on kinetics of ligand-exchange reactions
-
For a detailed study on kinetics of ligand-exchange reactions, see: Woehrle, G. H.; Brown, L. O.; Hutchison, J. E. J. Am. Chem. Soc. 2005, 127, 2172.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 2172
-
-
Woehrle, G.H.1
Brown, L.O.2
Hutchison, J.E.3
-
25
-
-
4243943295
-
-
Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. B 1996, 77, 3865.
-
(1996)
Phys. Rev. B
, vol.77
, pp. 3865
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
29
-
-
0000443771
-
-
Häkkinen, H.; Barnett, R. N.; Landman, U. Phys. Rev. Lett. 1999, 82, 3264.
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 3264
-
-
Häkkinen, H.1
Barnett, R.N.2
Landman, U.3
-
30
-
-
4243768219
-
-
Garzon, I. L.; Rovira, C.; Michaelian, K.; Beltran, M. R.; Ordejon, P.; Junquera, J.; Sanchez- Portal, D.; Artacho, E.; Soler, J. M. Phys. Rev. Lett. 2000, 85, 5250.
-
(2000)
Phys. Rev. Lett.
, vol.85
, pp. 5250
-
-
Garzon, I.L.1
Rovira, C.2
Michaelian, K.3
Beltran, M.R.4
Ordejon, P.5
Junquera, J.6
Sanchez-Portal, D.7
Artacho, E.8
Soler, J.M.9
-
34
-
-
0003974931
-
-
CPMD, v3.9; Copyright IBM Corp., 1990-2001, Copyright MPI fuer Festkoerperforschung Stuttgart 1997-2001. Forschungzentrum Juelich NIC Series, FZ Juelich: Germany
-
CPMD, v3.9; Copyright IBM Corp., 1990-2001, Copyright MPI fuer Festkoerperforschung Stuttgart 1997-2001. Marx, D.; Hutter, J. Modern Methods and Algorithms in Quantum Chemistry; Forschungzentrum Juelich NIC Series, Vol. 1; FZ Juelich: Germany, 2000.
-
(2000)
Modern Methods and Algorithms in Quantum Chemistry
, vol.1
-
-
Marx, D.1
Hutter, J.2
-
35
-
-
0038476915
-
-
(a) Grönbeck, H.; Curioni, A.; Andreoni, W. J. Am. Chem. Soc. 2000, 122, 3839.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 3839
-
-
Grönbeck, H.1
Curioni, A.2
Andreoni, W.3
-
36
-
-
0034319902
-
-
(b) Andreoni, W.; Curioni, A.; Grönbeck, H. Int. J. Quantum Chem. 2000, 80, 598.
-
(2000)
Int. J. Quantum Chem.
, vol.80
, pp. 598
-
-
Andreoni, W.1
Curioni, A.2
Grönbeck, H.3
-
37
-
-
0028392759
-
-
Hutter, J.; Luthi, H.; Parrinello, M. Comput. Mater. Sci. 1994, 2, 244.
-
(1994)
Comput. Mater. Sci.
, vol.2
, pp. 244
-
-
Hutter, J.1
Luthi, H.2
Parrinello, M.3
-
39
-
-
39249085207
-
-
Moseler, M.; Häkkinen, H.; Landman, U. Phys. Rev. Lett. 2001, 87, 053401.
-
(2001)
Phys. Rev. Lett.
, vol.87
, pp. 053401
-
-
Moseler, M.1
Häkkinen, H.2
Landman, U.3
-
41
-
-
84926447316
-
-
Teo, B. K.; Shi, X.; Zhang, H. J. Am. Chem. Soc. 1992, 114, 2743.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 2743
-
-
Teo, B.K.1
Shi, X.2
Zhang, H.3
-
44
-
-
84906389704
-
-
note
-
0 for all the systems discussed in this paper) is always assigned to the nearest atom analogous to defining a Wigner-Seitz primitive cell in solids. Relative changes of the local charge, e.g., upon adsorption of a molecule to a cluster, or after removing or adding an electron, are more meaningful than the absolute values. We have tested that the method used here produces similar patterns of intracluster charge distribution as other methods commonly used, e.g., Mulliken analysis.
-
-
-
-
45
-
-
0035828361
-
-
Krüger, D.; Fuchs, H.; Rousseau, R.; Marx, D.; Parrinello, M. J. Chem. Phys. 2001, 115, 4776.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 4776
-
-
Krüger, D.1
Fuchs, H.2
Rousseau, R.3
Marx, D.4
Parrinello, M.5
-
46
-
-
0001639745
-
-
(a) Bonasia, B. J.; Gindelberger, D. E.; Arnold, J. Inorg Chem. 1993, 32, 5126.
-
(1993)
Inorg Chem.
, vol.32
, pp. 5126
-
-
Bonasia, B.J.1
Gindelberger, D.E.2
Arnold, J.3
-
51
-
-
0032568887
-
-
Chen, S.; Ingram, R. S.; Hosteller, M. J.; Pietron, J. J.; Murray, R. W.; Schaaff, T. G.; Khoury, J. T.; Alvarez, M. M.; Whetten, R. L. Science 1998, 280, 2098.
-
(1998)
Science
, vol.280
, pp. 2098
-
-
Chen, S.1
Ingram, R.S.2
Hosteller, M.J.3
Pietron, J.J.4
Murray, R.W.5
Schaaff, T.G.6
Khoury, J.T.7
Alvarez, M.M.8
Whetten, R.L.9
-
52
-
-
0037533867
-
-
Quinn, B. M.; Liljeroth, P.; Ruiz, V.; Laaksonen, T.; Kontturi, K. J. Am. Chem. Soc. 2003, 125, 6644.
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 6644
-
-
Quinn, B.M.1
Liljeroth, P.2
Ruiz, V.3
Laaksonen, T.4
Kontturi, K.5
-
53
-
-
1542366728
-
-
Donkers, R. L.; Lee, D.; Murray, R. W. Langmuir 2004, 20, 1945.
-
(2004)
Langmuir
, vol.20
, pp. 1945
-
-
Donkers, R.L.1
Lee, D.2
Murray, R.W.3
-
54
-
-
4043101828
-
-
Jimenez, V. L.; Georganopoulou, D. G.; White, R. J.; Harper, A. S.; Mills, A. J.; Lee, D.; Murray, R. W. Langmuir 2004, 20, 6864.
-
(2004)
Langmuir
, vol.20
, pp. 6864
-
-
Jimenez, V.L.1
Georganopoulou, D.G.2
White, R.J.3
Harper, A.S.4
Mills, A.J.5
Lee, D.6
Murray, R.W.7
-
55
-
-
17144403270
-
-
Negishi, Y.; Nobusada, K.; Tsukuda, T. J. Am. Chem. Soc. 2005, 127, 5261.
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 5261
-
-
Negishi, Y.1
Nobusada, K.2
Tsukuda, T.3
-
58
-
-
33845281250
-
-
Nuzzo, R. G.; Zegarski, B. R.; Dubois, L. H. J. Am. Chem. Soc. 1987, 109, 733.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 733
-
-
Nuzzo, R.G.1
Zegarski, B.R.2
Dubois, L.H.3
-
59
-
-
84906404435
-
-
The coordinate files for structures 1, 2a, and 2b are available through the Web at http://nano.jyu.fi/groups/compns/GoldMine or from the, authors.
-
-
-
|