-
1
-
-
0028153697
-
-
M. Saunders, H. A. Jiménez-Vázquez, R. J. Cross, S. Mroczkowski, D. I. Freedberg, F. A. L. Anet, Nature 1994, 367, 256-258.
-
(1994)
Nature
, vol.367
, pp. 256-258
-
-
Saunders, M.1
Jiménez-Vázquez, H.A.2
Cross, R.J.3
Mroczkowski, S.4
Freedberg, D.I.5
Anet, F.A.L.6
-
2
-
-
0030104254
-
-
Review: M. Saunders, R. J. Cross, H. A. Jiménez-Vázquez, R. Shimshi, A. Khong, Science 1996, 271, 1693-1697.
-
(1996)
Science
, vol.271
, pp. 1693-1697
-
-
Saunders, M.1
Cross, R.J.2
Jiménez-Vázquez, H.A.3
Shimshi, R.4
Khong, A.5
-
3
-
-
0344325669
-
-
private communication results reported by M.R. in a talk given in Zürich, January
-
M. Saunders, M. Rabinovitz, private communication (results reported by M.R. in a talk given in Zürich, January 1997).
-
(1997)
-
-
Saunders, M.1
Rabinovitz, M.2
-
4
-
-
0001321586
-
-
A. Pasquerello, M. Schlüter, R. C. Haddon, Science 1992, 257, 1660-1661.
-
(1992)
Science
, vol.257
, pp. 1660-1661
-
-
Pasquerello, A.1
Schlüter, M.2
Haddon, R.C.3
-
7
-
-
0038171559
-
-
M. Bühl, W. Thiel, H. Jiao, P. von R. Schleyer, M. Saunders, F. A. L. Anet, J. Am. Chem. Soc. 1994, 116, 6005-6006.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 6005-6006
-
-
Bühl, M.1
Thiel, W.2
Jiao, H.3
Von Schleyer, P.R.4
Saunders, M.5
Anet, F.A.L.6
-
9
-
-
0029368869
-
-
M. Saunders, H. A. Jiménez-Väzquez, R. J. Cross, W. E. Billups, C. Gesenberg, A. Gonzales, W. Luo, R. C. Haddon, F. Diederich, A. Herrmann, J. Am. Chem. Soc. 1995, 115, 9305-9308.
-
(1995)
J. Am. Chem. Soc.
, vol.115
, pp. 9305-9308
-
-
Saunders, M.1
Jiménez-Väzquez, H.A.2
Cross, R.J.3
Billups, W.E.4
Gesenberg, C.5
Gonzales, A.6
Luo, W.7
Haddon, R.C.8
Diederich, F.9
Herrmann, A.10
-
12
-
-
0027663543
-
-
R. C. Haddon, Science 1993, 267, 1545-1550.
-
(1993)
Science
, vol.267
, pp. 1545-1550
-
-
Haddon, R.C.1
-
14
-
-
0000523401
-
-
M. Prato, V. Lucchini, M. Maggini, E. Stimpfl, G. Scorrano, M. Eiermann, T. Suzuki, F. Wudl, J. Am. Chem. Soc. 1993, 115, 8479-8480.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 8479-8480
-
-
Prato, M.1
Lucchini, V.2
Maggini, M.3
Stimpfl, E.4
Scorrano, G.5
Eiermann, M.6
Suzuki, T.7
Wudl, F.8
-
15
-
-
0011190497
-
-
P. von R. Schleyer, C. Maerker, A. Dransfeld, H. Jiao, N. J. R. van E. Hommes, J. Am. Chem. Soc. 1996, 118, 6317-6318.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6317-6318
-
-
Von Schleyer, P.R.1
Maerker, C.2
Dransfeld, A.3
Jiao, H.4
Van E. Hommes, N.J.R.5
-
17
-
-
5944261746
-
-
J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824; ibid. 1986, 34, 7046.
-
(1986)
Phys. Rev. B
, vol.33
, pp. 8822-8824
-
-
Perdew, J.P.1
-
18
-
-
5944261746
-
-
J. P. Perdew, Phys. Rev. B 1986, 33, 8822-8824; ibid. 1986, 34, 7046.
-
(1986)
Phys. Rev. B
, vol.34
, pp. 7046
-
-
-
19
-
-
84873055189
-
-
Wiley, New York
-
W. Hehre, L. Radom, P. von R. Schleyer, J. A. Pople, Ab Initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.1
Radom, L.2
Von Schleyer, P.R.3
Pople, J.A.4
-
21
-
-
4243539377
-
-
R. Ahlrichs, M. Bär, M. Häser, H. Horn, M. Kölmel, Chem. Phys. Lett. 1989, 154, 165-169.
-
(1989)
Chem. Phys. Lett.
, vol.154
, pp. 165-169
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, M.5
-
22
-
-
0001644359
-
-
M. Häser, J. Almlöf, G. E. Seuseria, Chem. Phys. Lett. 1991, 181, 497-500.
-
(1991)
Chem. Phys. Lett.
, vol.181
, pp. 497-500
-
-
Häser, M.1
Almlöf, J.2
Seuseria, G.E.3
-
23
-
-
0030872955
-
-
K. Hedberg, L. Hedberg, M. Bühl, D. S. Bethune, C. A. Brown, R. D. Johnson, J. Am. Chem. Soc. 1997, 119, 5314-5320.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5314-5320
-
-
Hedberg, K.1
Hedberg, L.2
Bühl, M.3
Bethune, D.S.4
Brown, C.A.5
Johnson, R.D.6
-
24
-
-
0000770899
-
-
M. Häser, R. Ahlrichs, H. P. Baron, P. Weiss, H. Horn, Theor. Chim. Acta 1992, 83, 455-470.
-
(1992)
Theor. Chim. Acta
, vol.83
, pp. 455-470
-
-
Häser, M.1
Ahlrichs, R.2
Baron, H.P.3
Weiss, P.4
Horn, H.5
-
26
-
-
0344757716
-
-
unpublished calculations
-
M. Bühl, unpublished calculations.
-
M. Bühl
-
-
-
27
-
-
0029932130
-
-
E. Yamamoto, M. Tansho, T. Tomiyama, H. Shinohara, J. Am. Chem. Soc. 1996, 118, 2293-2294.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 2293-2294
-
-
Yamamoto, E.1
Tansho, M.2
Tomiyama, T.3
Shinohara, H.4
-
28
-
-
0030601602
-
-
K. Kobayashi, S. Nagase, T. Akasaka, Chem. Phys. Lett. 1996, 261, 502-506.
-
(1996)
Chem. Phys. Lett.
, vol.261
, pp. 502-506
-
-
Kobayashi, K.1
Nagase, S.2
Akasaka, T.3
-
30
-
-
11944254967
-
-
D. Bakowies, M. Bühl, W. Thiel, J. Am. Chem. Soc. 1995, 117, 10113-10118; Chem. Phys. Lett. 1995, 247, 491-493.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 10113-10118
-
-
Bakowies, D.1
Bühl, M.2
Thiel, W.3
-
31
-
-
24844460550
-
-
D. Bakowies, M. Bühl, W. Thiel, J. Am. Chem. Soc. 1995, 117, 10113-10118; Chem. Phys. Lett. 1995, 247, 491-493.
-
(1995)
Chem. Phys. Lett.
, vol.247
, pp. 491-493
-
-
-
33
-
-
0344325667
-
-
note
-
NICS values are isotropic, that is, scalar values. If the assumption were exactly fulfilled that they arise solely from circular current loops in the plane, then the NICS value of each ring could be viewed as vector with an out-of-plane component three times this NICS value and the inplane components equal to zero. Thus, the component of δ(RC) at the fullerene center pointing toward a given ring would be three times the respective value given in Table 1. Since the other two components of δ(RC) would be zero, the tabulated values correspond to the isotropic average. The vector sums of all rings do not cancel in centrosymmetric fullerenes because the direction of each vector is the same with respect to the external field (e.g., always opposite to the latter for diatropic ring currents).
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34
-
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0038036920
-
-
M. Rüttimann, R. F. Haldimann, L. Isaacs, F. Diederich, A. Khong, H. Jiménez-Vázquez, R. J. Cross, M. Saunders, Chem. Eur. J. 1997, 3, 1071-1076.
-
(1997)
Chem. Eur. J.
, vol.3
, pp. 1071-1076
-
-
Rüttimann, M.1
Haldimann, R.F.2
Isaacs, L.3
Diederich, F.4
Khong, A.5
Jiménez-Vázquez, H.6
Cross, R.J.7
Saunders, M.8
-
36
-
-
0029237688
-
-
(Ed.: P. Bernier), Pittsburgh (PA)
-
S. R. Wilson, J. Cao, Q. Lu, Y. Wu, N. Kaprinidas, G. Lem, M. Saunders, H. A. Jiménez-Vázquez, D. I. Schuster, in Science and Technology of Fullerene Materials (Ed.: P. Bernier), Pittsburgh (PA), 1995, p. 357-362.
-
(1995)
Science and Technology of Fullerene Materials
, pp. 357-362
-
-
Wilson, S.R.1
Cao, J.2
Lu, Q.3
Wu, Y.4
Kaprinidas, N.5
Lem, G.6
Saunders, M.7
Jiménez-Vázquez, H.A.8
Schuster, D.I.9
-
37
-
-
0031021326
-
-
W. E. Billups, W. Luo, A. Gonzalez, D. Arguello, L. B. Alemany, T. Mariott, M. Saunders, H. A. Jiménez-Vázquez, A. Khong, Tetrahedron Lett. 1997, 38, 171-174.
-
(1997)
Tetrahedron Lett.
, vol.38
, pp. 171-174
-
-
Billups, W.E.1
Luo, W.2
Gonzalez, A.3
Arguello, D.4
Alemany, L.B.5
Mariott, T.6
Saunders, M.7
Jiménez-Vázquez, H.A.8
Khong, A.9
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