-
1
-
-
19444374508
-
-
Kirchberg, Austria, March 2-9, 1996 World Scientific, Singapore
-
H. Kuzmany, J. Fink, M. Mehring, S. Roth (Eds.): Proc. Euroconf. on Electrical Properties of Novel Materials: Fullerenes and Fullerene Nanostructures, Kirchberg, Austria, March 2-9, 1996 (World Scientific, Singapore 1996)
-
(1996)
Proc. Euroconf. on Electrical Properties of Novel Materials: Fullerenes and Fullerene Nanostructures
-
-
Kuzmany, H.1
Fink, J.2
Mehring, M.3
Roth, S.4
-
3
-
-
0029638717
-
-
M. Takata, B. Umeda, E. Nishibon, M. Sakata, Y. Saito, M. Ohno, H. Shinohara: Nature 377, 46 (1995)
-
(1995)
Nature
, vol.377
, pp. 46
-
-
Takata, M.1
Umeda, B.2
Nishibon, E.3
Sakata, M.4
Saito, Y.5
Ohno, M.6
Shinohara, H.7
-
5
-
-
0347894237
-
-
The MD runs at constant temperature are carried out using the Nosé-Hoover method, see S. Nosé: J. Chem. Phys. 81, 541 (1984) and W.G. Hoover: Phys. Rev. A 31, 1695 (1985)
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 541
-
-
Nosé, S.1
-
6
-
-
0001538909
-
-
The MD runs at constant temperature are carried out using the Nosé-Hoover method, see S. Nosé: J. Chem. Phys. 81, 541 (1984) and W.G. Hoover: Phys. Rev. A 31, 1695 (1985)
-
(1985)
Phys. Rev. A
, vol.31
, pp. 1695
-
-
Hoover, W.G.1
-
8
-
-
4243553426
-
-
A. Becke: Phys. Rev. A 38 3098 (1988); C. Lee, W. Yang, R.G. Parr: Phys. Rev. B 36, 785 (1988)
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.1
-
11
-
-
0001496730
-
-
For the isolated clusters, we used the method introduced in R.N. Barnett, U. Landman: Phys. Rev. B 48, 2081 (1993)
-
(1993)
Phys. Rev. B
, vol.48
, pp. 2081
-
-
Barnett, R.N.1
Landman, U.2
-
12
-
-
0000014958
-
-
S. Nagase, K. Kobayashi, T. Kato, Y. Achiba: Chem. Phys. Lett. 201, 475 (1993); 214, 57 (1993)
-
(1993)
Chem. Phys. Lett.
, vol.201
, pp. 475
-
-
Nagase, S.1
Kobayashi, K.2
Kato, T.3
Achiba, Y.4
-
13
-
-
0000014958
-
-
S. Nagase, K. Kobayashi, T. Kato, Y. Achiba: Chem. Phys. Lett. 201, 475 (1993); 214, 57 (1993)
-
(1993)
Chem. Phys. Lett.
, vol.214
, pp. 57
-
-
-
14
-
-
0003118234
-
-
L.S. Wang, J.M. Alford, Y. Chai, M. Diener, J. Zhang, S.M. McClure, T. Guo, R.E. Smalley: Chem. Phys. Lett. 207, 354 (1993)
-
(1993)
Chem. Phys. Lett.
, vol.207
, pp. 354
-
-
Wang, L.S.1
Alford, J.M.2
Chai, Y.3
Diener, M.4
Zhang, J.5
McClure, S.M.6
Guo, T.7
Smalley, R.E.8
-
17
-
-
4243661501
-
-
E.A. Carter, G. Ciccotti, J.T. Hynes, R. Kapral: Chem. Phys. Lett. 156, 472 (1989)
-
(1989)
Chem. Phys. Lett.
, vol.156
, pp. 472
-
-
Carter, E.A.1
Ciccotti, G.2
Hynes, J.T.3
Kapral, R.4
-
18
-
-
0030852233
-
-
A. Curioni, M. Sprik, W. Andreoni, H. Schiffer, H. Hutter, M. Parrinello: J. Am. Chem. Soc. 119, 7218 (1997)
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 7218
-
-
Curioni, A.1
Sprik, M.2
Andreoni, W.3
Schiffer, H.4
Hutter, H.5
Parrinello, M.6
-
19
-
-
33845377758
-
-
J.R. Heath, S.C. O'Brien, Q. Zhang, Y. Liu, R.F. Curl, H.W. Kroto, F.K. Tittl, R.E. Smalley: J. Am. Chem. Soc. 107, 779 (1985)
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 779
-
-
Heath, J.R.1
O'Brien, S.C.2
Zhang, Q.3
Liu, Y.4
Curl, R.F.5
Kroto, H.W.6
Tittl, F.K.7
Smalley, R.E.8
-
20
-
-
0029789806
-
-
R. Tellgmann, N. Krawez, S.-H. Lin, I.V. Hertel, E.E.B. Campbell: Nature 382, 407 (1996)
-
(1996)
Nature
, vol.382
, pp. 407
-
-
Tellgmann, R.1
Krawez, N.2
Lin, S.-H.3
Hertel, I.V.4
Campbell, E.E.B.5
-
23
-
-
0011447308
-
-
ed. by H. Kuzmany, J. Fink, M. Mehring, S. Roth World Scientific, Singapore
-
60, with Me = Na, K, Al, La, and Y
-
(1994)
Progress in Fullerene Research
, pp. 93
-
-
Andreoni, W.1
Curioni, A.2
-
24
-
-
0002163281
-
-
ed. by W.E. Billups, M.A. Ciufolini VCH Publishers, New York
-
S.C. Erwin: In Buckminsterfullerenes, ed. by W.E. Billups, M.A. Ciufolini (VCH Publishers, New York 1993) p. 217
-
(1993)
Buckminsterfullerenes
, pp. 217
-
-
Erwin, S.C.1
-
26
-
-
19444370766
-
-
note
-
Structures and energies refer to very recent calculations carried out in the spin-polarized BLYP approximation that are more accurate than the LSD, especially for the binding energies. The reported IR spectra refer to LSD calculations
-
-
-
-
27
-
-
19444385899
-
-
The Chemical Physics of Fullerenes 10 (and 5) Years Later, ed. by W. Andreoni, Kluwer, Dordrecht
-
W. Andreoni, A. Curioni: In The Chemical Physics of Fullerenes 10 (and 5) Years Later, ed. by W. Andreoni, NATO ASI Series E: Applied Sciences, Vol. 316 (Kluwer, Dordrecht 1996) p. 183
-
(1996)
NATO ASI Series E: Applied Sciences
, vol.316
, pp. 183
-
-
Andreoni, W.1
Curioni, A.2
-
28
-
-
19444379980
-
-
C. Cepek, M.R. Hunt, A. Goldoni, S. Prato, S. Modesti: In [1], p. 284
-
C. Cepek, M.R. Hunt, A. Goldoni, S. Prato, S. Modesti: In [1], p. 284
-
-
-
-
30
-
-
33748898705
-
-
K. Kikuchi, N. Nakahara, T. Wakabayashi, S. Suzuki, H. Shiromaru, Y. Miyake, K. Saito, I. Ikemoto, M. Kainosho, Y. Achiba: Nature 357, 142 (1992); Y. Achiba, K. Kikuchi, A. Aihara, T. Wakabayashi, Y. Miyake, M. Kainosho: Mater. Res. Soc. Symp. Proc. 359, 3 (1995)
-
(1992)
Nature
, vol.357
, pp. 142
-
-
Kikuchi, K.1
Nakahara, N.2
Wakabayashi, T.3
Suzuki, S.4
Shiromaru, H.5
Miyake, Y.6
Saito, K.7
Ikemoto, I.8
Kainosho, M.9
Achiba, Y.10
-
31
-
-
0029216879
-
-
K. Kikuchi, N. Nakahara, T. Wakabayashi, S. Suzuki, H. Shiromaru, Y. Miyake, K. Saito, I. Ikemoto, M. Kainosho, Y. Achiba: Nature 357, 142 (1992); Y. Achiba, K. Kikuchi, A. Aihara, T. Wakabayashi, Y. Miyake, M. Kainosho: Mater. Res. Soc. Symp. Proc. 359, 3 (1995)
-
(1995)
Mater. Res. Soc. Symp. Proc.
, vol.359
, pp. 3
-
-
Achiba, Y.1
Kikuchi, K.2
Aihara, A.3
Wakabayashi, T.4
Miyake, Y.5
Kainosho, M.6
-
32
-
-
0001640977
-
-
D.M. Poirier, M. Knupfer, J.H. Weaver, W. Andreoni, K. Laasonen, M. Parrinello, D.S. Bethune, K. Kikuchi, Y. Achiba: Phys. Rev. B 49, 17403 (1994)
-
(1994)
Phys. Rev. B
, vol.49
, pp. 17403
-
-
Poirier, D.M.1
Knupfer, M.2
Weaver, J.H.3
Andreoni, W.4
Laasonen, K.5
Parrinello, M.6
Bethune, D.S.7
Kikuchi, K.8
Achiba, Y.9
-
33
-
-
19444367251
-
-
note
-
In the 82 : 3 structure, the number of pyracylene units of the green, blue, and red type is two, eight, and four, respectively
-
-
-
-
34
-
-
0041980980
-
-
D.S. Bethune, R.D. Johnson, J.R. Salem, M.S. deVries, C.S. Yannoni: Nature 366, 123 (1993)
-
(1993)
Nature
, vol.366
, pp. 123
-
-
Bethune, D.S.1
Johnson, R.D.2
Salem, J.R.3
Devries, M.S.4
Yannoni, C.S.5
-
35
-
-
0000865632
-
-
B. Kessler, A. Bringer, S. Cramm, C. Schlebusch, W. Eberhardt, S. Suzuki, Y. Achiba, F. Esch, M. Barnaba, D. Cocco: Phys. Rev. Lett. 79, 2289 (1997)
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 2289
-
-
Kessler, B.1
Bringer, A.2
Cramm, S.3
Schlebusch, C.4
Eberhardt, W.5
Suzuki, S.6
Achiba, Y.7
Esch, F.8
Barnaba, M.9
Cocco, D.10
-
36
-
-
19444369944
-
-
The Chemical Physics of Fullerenes 10 (and 5) Years Later, ed. by W. Andreoni, Kluwer, Dordrecht
-
R.H. Michel, R.D. Beck, A. Fischer, F. Hennnch, P. Weis, D. Fuchs, G. Bräuchle, S. Richard-Schneider, M.M. Kappes: In The Chemical Physics of Fullerenes 10 (and 5) Years Later, ed. by W. Andreoni, NATO ASI Series E: Applied Sciences, Vol. 316 (Kluwer, Dordrecht 1996) p. 149
-
(1996)
NATO ASI Series E: Applied Sciences
, vol.316
, pp. 149
-
-
Michel, R.H.1
Beck, R.D.2
Fischer, A.3
Hennnch, F.4
Weis, P.5
Fuchs, D.6
Bräuchle, G.7
Richard-Schneider, S.8
Kappes, M.M.9
-
37
-
-
0002530445
-
-
K. Kikuchi, S. Suzuki, Y. Nakao, N. Nakahara, T. Wakabayashi, H. Shiromaru, K. Saito, I. Ikemoto, Y. Achiba: Chem. Phys. Lett. 216, 67 (1993)
-
(1993)
Chem. Phys. Lett.
, vol.216
, pp. 67
-
-
Kikuchi, K.1
Suzuki, S.2
Nakao, Y.3
Nakahara, N.4
Wakabayashi, T.5
Shiromaru, H.6
Saito, K.7
Ikemoto, I.8
Achiba, Y.9
-
38
-
-
19444373332
-
-
W. Andreoni, A. Curioni: in [2], p. 516
-
W. Andreoni, A. Curioni: in [2], p. 516
-
-
-
|