-
5
-
-
0035478450
-
-
Kobayashi, K.; Sano, Y.; Nagase, S. J. Comput. Chem. 2001, 22,1353-1358.
-
(2001)
J. Comput. Chem
, vol.22
, pp. 1353-1358
-
-
Kobayashi, K.1
Sano, Y.2
Nagase, S.3
-
6
-
-
0034707023
-
-
Stevenson, S.; Fowler, P. W.; Heine, T.; Duchamp, J. C.; Rice, G.; Glass, T.; Harich, K.; Hajdu, E.; Bible, R.; Dorn, H. C. Nature 2000, 408, 427-428.
-
(2000)
Nature
, vol.408
, pp. 427-428
-
-
Stevenson, S.1
Fowler, P.W.2
Heine, T.3
Duchamp, J.C.4
Rice, G.5
Glass, T.6
Harich, K.7
Hajdu, E.8
Bible, R.9
Dorn, H.C.10
-
7
-
-
0035794950
-
-
Olmstead, M. H.; de Bettencourt-Dias, A.; Duchamp, J. C.; Stevenson, S.; Marciu, D.; Dorn, H. C.; Balch, A. L. Angew. Chem., Int. Ed. 2001, 40, 1223-1225.
-
(2001)
Angew. Chem., Int. Ed
, vol.40
, pp. 1223-1225
-
-
Olmstead, M.H.1
de Bettencourt-Dias, A.2
Duchamp, J.C.3
Stevenson, S.4
Marciu, D.5
Dorn, H.C.6
Balch, A.L.7
-
8
-
-
15544388508
-
-
Campanera, J. M.; Heggie, M. I.; Taylor, R. J. Phys. Chem. A 2005, 109, 4024-4031.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 4024-4031
-
-
Campanera, J.M.1
Heggie, M.I.2
Taylor, R.3
-
9
-
-
43249093214
-
-
Osuna, S.; Swart, M.; Campanera, J.; Poblet, J.; Solà, M. J. Am. Chem. Soc. 2008, 130, 6206-6214.
-
(2008)
J. Am. Chem. Soc
, vol.130
, pp. 6206-6214
-
-
Osuna, S.1
Swart, M.2
Campanera, J.3
Poblet, J.4
Solà, M.5
-
10
-
-
31144471081
-
-
Campanera, J. M.; Bo, C.; Poblet, J. M. J. Org. Chem. 2006, 71, 46-54.
-
(2006)
J. Org. Chem
, vol.71
, pp. 46-54
-
-
Campanera, J.M.1
Bo, C.2
Poblet, J.M.3
-
11
-
-
22944448018
-
-
Cardona, C. M.; Kitaygorodskiy, A.; Echegoyen, L. J. Am. Chem. Soc. 2005, 127, 10448-10453.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 10448-10453
-
-
Cardona, C.M.1
Kitaygorodskiy, A.2
Echegoyen, L.3
-
12
-
-
22244460156
-
-
Iiduka, Y.; Ikenaga, O.; Sakuraba, A.; Wakahara, T.; Tsuchiya, T.; Maeda, Y.; Nakahodo, T.; Akasaka, T.; Kako, M.; Mizorogi, N.; Nagae, S. J. Am. Chem. Soc. 2005, 127, 9965-9957.
-
(2005)
J. Am. Chem. Soc
, vol.127
, pp. 9965-9957
-
-
Iiduka, Y.1
Ikenaga, O.2
Sakuraba, A.3
Wakahara, T.4
Tsuchiya, T.5
Maeda, Y.6
Nakahodo, T.7
Akasaka, T.8
Kako, M.9
Mizorogi, N.10
Nagae, S.11
-
13
-
-
34247528241
-
-
Popov, A. A.; Krause, M.; Yang, S.; Wong, J.; Dunsch, L. J. Phys. Chem. B 2007, 111, 3363-3369.
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 3363-3369
-
-
Popov, A.A.1
Krause, M.2
Yang, S.3
Wong, J.4
Dunsch, L.5
-
14
-
-
27844444165
-
-
Campanera, J. M.; Bo, C.; Poblet, J. M. Angew. Chem., Int. Ed. 2005, 44, 7230-7233.
-
(2005)
Angew. Chem., Int. Ed
, vol.44
, pp. 7230-7233
-
-
Campanera, J.M.1
Bo, C.2
Poblet, J.M.3
-
15
-
-
47049122866
-
-
47, 4173-U76
-
Pinzón, J. R.; Plonska-Brzezinska, M. E.; Cardona, C. M.; Athans, A. J.; Gayathri, S. S.; Guldi, D. M.; Herranz, M. A.; Martín, N.; Torres, T.; Echegoyen, L. Angew. Chem., Int. Ed. 2008, 47, 4173-U76.
-
(2008)
Angew. Chem., Int. Ed
-
-
Pinzón, J.R.1
Plonska-Brzezinska, M.E.2
Cardona, C.M.3
Athans, A.J.4
Gayathri, S.S.5
Guldi, D.M.6
Herranz, M.A.7
Martín, N.8
Torres, T.9
Echegoyen, L.10
-
16
-
-
0346742515
-
-
Iezzi, E. B.; Duchamp, J. C.; Fletcher, K. R.; Glass, T. E.; Dorn, H. C. Nano Lett. 2002, 2, 1187-1190.
-
(2002)
Nano Lett
, vol.2
, pp. 1187-1190
-
-
Iezzi, E.B.1
Duchamp, J.C.2
Fletcher, K.R.3
Glass, T.E.4
Dorn, H.C.5
-
17
-
-
0037051642
-
-
Lee, H. M.; Olmstead, M. M.; Iezzi, E.; Duchamp, J. C.; Dorn, H. C.; Balch, A. L. J. Am. Chem. Soc. 2002, 124, 3494-3495.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 3494-3495
-
-
Lee, H.M.1
Olmstead, M.M.2
Iezzi, E.3
Duchamp, J.C.4
Dorn, H.C.5
Balch, A.L.6
-
18
-
-
0037196289
-
-
Iezzi, E. B.; Duchamp, J. C.; Harich, K.; Glass, T. E.; Lee, H. M.; Olmstead, M. M.; Bach, A. L.; Dorn, H. C. J. Am. Chem. Soc. 2002, 124, 524-525.
-
(2002)
J. Am. Chem. Soc
, vol.124
, pp. 524-525
-
-
Iezzi, E.B.1
Duchamp, J.C.2
Harich, K.3
Glass, T.E.4
Lee, H.M.5
Olmstead, M.M.6
Bach, A.L.7
Dorn, H.C.8
-
19
-
-
20944445786
-
-
Cardona, C. M.; Kitaygorodskiy, A.; Ortiz, A.; Herranz, M. A.; Echegoyen, L. J. Org. Chem. 2005, 70, 5092-5097.
-
(2005)
J. Org. Chem
, vol.70
, pp. 5092-5097
-
-
Cardona, C.M.1
Kitaygorodskiy, A.2
Ortiz, A.3
Herranz, M.A.4
Echegoyen, L.5
-
20
-
-
34548251930
-
-
Chen, N.; Fan, L. Z.; Tan, K.; Wu, Y. Q.; Shu, C. Y.; Lu, X.; Wang, C. R. J. Phys. Chem. C 2007, 111, 11823-11828.
-
(2007)
J. Phys. Chem. C
, vol.111
, pp. 11823-11828
-
-
Chen, N.1
Fan, L.Z.2
Tan, K.3
Wu, Y.Q.4
Shu, C.Y.5
Lu, X.6
Wang, C.R.7
-
21
-
-
34548256817
-
-
Lukoyanova, O.; Cardona, C. M.; Rivera, J.; Lugo-Morales, L. Z.; Chancellor, C. J.; Olmstead, M. M.; Rodriguez-Fortea, A.; Poblet, J. M.; Balch, A. L.; Echegoyen, L. J. Am. Chem. Soc. 2007, 129, 10423-10430.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 10423-10430
-
-
Lukoyanova, O.1
Cardona, C.M.2
Rivera, J.3
Lugo-Morales, L.Z.4
Chancellor, C.J.5
Olmstead, M.M.6
Rodriguez-Fortea, A.7
Poblet, J.M.8
Balch, A.L.9
Echegoyen, L.10
-
22
-
-
33745713579
-
-
Cai, T.; Xu, L. S.; Anderson, M. R.; Ge, Z. X.; Zuo, T. M.; Wang, X. L.; Olmstead, M. M.; Balch, A. L.; Gibson, H. W.; Dorn, H. C. J. Am. Chem. Soc. 2006, 128, 8581-8589.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 8581-8589
-
-
Cai, T.1
Xu, L.S.2
Anderson, M.R.3
Ge, Z.X.4
Zuo, T.M.5
Wang, X.L.6
Olmstead, M.M.7
Balch, A.L.8
Gibson, H.W.9
Dorn, H.C.10
-
24
-
-
33646593832
-
-
Cai, T.; Slebodnick, C.; Xu, L.; Harich, K.; Glass, T. E.; Chancellor, C.; Fettinger, J. C.; Olmstead, M. M.; Balch, A. L.; Gibson, H. W.; Dorn, H. C. J. Am. Chem. Soc. 2006, 128, 6486-6492.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 6486-6492
-
-
Cai, T.1
Slebodnick, C.2
Xu, L.3
Harich, K.4
Glass, T.E.5
Chancellor, C.6
Fettinger, J.C.7
Olmstead, M.M.8
Balch, A.L.9
Gibson, H.W.10
Dorn, H.C.11
-
25
-
-
33646681882
-
-
Cardona, C. M.; Elliott, B.; Echegoyen, L. J. Am. Chem. Soc. 2006, 128, 6480-6485.
-
(2006)
J. Am. Chem. Soc
, vol.128
, pp. 6480-6485
-
-
Cardona, C.M.1
Elliott, B.2
Echegoyen, L.3
-
26
-
-
33745247168
-
-
Echegoyen, L.; Chancellor, C. J.; Cardona, C. M.; Elliott, B.; Rivera, J.; Olmstead, M. M.; Balch, A. L. Chem. Commun. 2006, 2653-2655.
-
(2006)
Chem. Commun
, pp. 2653-2655
-
-
Echegoyen, L.1
Chancellor, C.J.2
Cardona, C.M.3
Elliott, B.4
Rivera, J.5
Olmstead, M.M.6
Balch, A.L.7
-
27
-
-
33845791136
-
-
Rodríguez-Fortea, A.; Campanera, J. M.; Cardona, C. M.; Echegoyen, L.; Poblet, J. M. Angew. Chem., Int. Ed. 2006, 45, 8176-8180.
-
(2006)
Angew. Chem., Int. Ed
, vol.45
, pp. 8176-8180
-
-
Rodríguez-Fortea, A.1
Campanera, J.M.2
Cardona, C.M.3
Echegoyen, L.4
Poblet, J.M.5
-
28
-
-
34848830178
-
-
Cai, T.; Xu, L.; Gibson, H. W.; Dorn, H. C.; Chancellor, C. J.; Olmstead, M. M.; Balch, A. L. J. Am. Chem. Soc. 2007, 129, 10795-10800.
-
(2007)
J. Am. Chem. Soc
, vol.129
, pp. 10795-10800
-
-
Cai, T.1
Xu, L.2
Gibson, H.W.3
Dorn, H.C.4
Chancellor, C.J.5
Olmstead, M.M.6
Balch, A.L.7
-
29
-
-
39549115910
-
-
Cai, T.; Xu, L.; Shu, C.; Champion, H. A.; Reid, J. E.; Anklin, C.; Anderson, M. R.; Gibson, H. W.; Dorn, H. C. J. Am Chem. Soc. 2008, 130, 2136-2137.
-
(2008)
J. Am Chem. Soc
, vol.130
, pp. 2136-2137
-
-
Cai, T.1
Xu, L.2
Shu, C.3
Champion, H.A.4
Reid, J.E.5
Anklin, C.6
Anderson, M.R.7
Gibson, H.W.8
Dorn, H.C.9
-
30
-
-
38349129430
-
-
Cao, B.; Nikawa, H.; Nakahodo, T.; Tsuchiya, T.; Maeda, Y.; Akasaka, T.; Sawa, H.; Slanina, Z.; Mizorogi, N.; Nagase, S. J. Am. Chem. Soc. 2008, 130, 983-989.
-
(2008)
J. Am. Chem. Soc
, vol.130
, pp. 983-989
-
-
Cao, B.1
Nikawa, H.2
Nakahodo, T.3
Tsuchiya, T.4
Maeda, Y.5
Akasaka, T.6
Sawa, H.7
Slanina, Z.8
Mizorogi, N.9
Nagase, S.10
-
31
-
-
85057634234
-
-
Yamada, M.; Wakahara, T.; Tsuchiya, T.; Maeda, Y.; Kako, M.; Akasaka, T.; Yoza, K.; Horn, E.; Mizorogi, N.; Nagase, S. Chem. Commun. 2008, 558-560.
-
(2008)
Chem. Commun
, pp. 558-560
-
-
Yamada, M.1
Wakahara, T.2
Tsuchiya, T.3
Maeda, Y.4
Kako, M.5
Akasaka, T.6
Yoza, K.7
Horn, E.8
Mizorogi, N.9
Nagase, S.10
-
32
-
-
0037180868
-
-
Campanera, J. M; Bo, C.; Olmstead, M. M.; Balch, A. L.; Poblet, J. M. J. Phys. Chem. A 2002, 106, 12356-12364.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 12356-12364
-
-
Campanera, J.M.1
Bo, C.2
Olmstead, M.M.3
Balch, A.L.4
Poblet, J.M.5
-
33
-
-
67849126197
-
-
Baerends, E. J.; et al. ADF; SCM: Amsterdam, 2006.
-
Baerends, E. J.; et al. ADF; SCM: Amsterdam, 2006.
-
-
-
-
34
-
-
20644438873
-
-
te Velde, G.; Bickelhaupt, F. M.; Baerends, E. J.; Fonseca Guerra, C.; van Gisbergen, S. J. A.; Snijders, J. G.; Ziegler, T. J. Comput. Chem. 2001, 22, 931-967.
-
(2001)
J. Comput. Chem
, vol.22
, pp. 931-967
-
-
te Velde, G.1
Bickelhaupt, F.M.2
Baerends, E.J.3
Fonseca Guerra, C.4
van Gisbergen, S.J.A.5
Snijders, J.G.6
Ziegler, T.7
-
35
-
-
50249150247
-
-
Güell, M.; Luis, J. M.; Solà, M.; Swart, M. J. Phys. Chem. A 2008, 112, 6384-6391.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 6384-6391
-
-
Güell, M.1
Luis, J.M.2
Solà, M.3
Swart, M.4
-
37
-
-
0037880444
-
-
van Lenthe, E.; Baerends, E. J.; Snijders, J. G. J. Chem. Phys. 1993, 99, 4597-4610.
-
(1993)
J. Chem. Phys
, vol.99
, pp. 4597-4610
-
-
van Lenthe, E.1
Baerends, E.J.2
Snijders, J.G.3
-
39
-
-
0000216001
-
-
Vosko, S. H.; Wilk, L.; Nusair, M. Can. J. Phys 1980, 58, 1200-1211.
-
(1980)
Can. J. Phys
, vol.58
, pp. 1200-1211
-
-
Vosko, S.H.1
Wilk, L.2
Nusair, M.3
-
42
-
-
10944242354
-
-
Goumans, T. P. M.; Ehlers, A. W.; Lammertsma, K.; Wiirthwein, E.-U.; Grimme, S. ChemsEur. J. 2004, 10, 6468-6475.
-
(2004)
ChemsEur. J
, vol.10
, pp. 6468-6475
-
-
Goumans, T.P.M.1
Ehlers, A.W.2
Lammertsma, K.3
Wiirthwein, E.-U.4
Grimme, S.5
-
43
-
-
34249820551
-
-
Swart, M.; Sola7grave;, M.; Bickelhaupt, F. M. J. Comput. Chem. 2007, 28, 1551-1560.
-
Swart, M.; Sola7grave;, M.; Bickelhaupt, F. M. J. Comput. Chem. 2007, 28, 1551-1560.
-
-
-
-
48
-
-
67849112789
-
-
8, 48; Program QCPE 508/QCMP 044
-
Haddon, R. C. QCPE Bull. 1988, 8, 48; Program QCPE 508/QCMP 044.
-
QCPE Bull
, vol.1988
-
-
Haddon, R.C.1
-
49
-
-
0029637893
-
-
Sola, M.; Mestres, J.; Duran, M. J. Phys. Chem. 1995, 99, 10752-10758.
-
(1995)
J. Phys. Chem
, vol.99
, pp. 10752-10758
-
-
Sola, M.1
Mestres, J.2
Duran, M.3
-
50
-
-
84986435733
-
-
Pascual-Ahuir, J. L.; Silla, E.; Tuñón, I. J. Comput. Chem. 1994, 15, 1127-1138.
-
(1994)
J. Comput. Chem
, vol.15
, pp. 1127-1138
-
-
Pascual-Ahuir, J.L.1
Silla, E.2
Tuñón, I.3
-
52
-
-
67849128087
-
-
We are aware that the virtual orbitals are not strictly optimized during the SCF process and that their physical meaning is therefore questionable. However, we consider that the present argument, i.e, that the e u bond is less activated because of its interaction with the N atom of the pyramidalized Y3N unit, holds irrespective of the shape and energetic ordering of the virtual orbitals
-
3N unit, holds irrespective of the shape and energetic ordering of the virtual orbitals.
-
-
-
-
53
-
-
44849106738
-
-
Chaur, M. N.; Melin, F.; Athans, A. J.; Elliott, B.; Walker, K.; Holloway, B. C.; Echegoyen, L. Chem. Commun. 2008, 2665-2667.
-
(2008)
Chem. Commun
, pp. 2665-2667
-
-
Chaur, M.N.1
Melin, F.2
Athans, A.J.3
Elliott, B.4
Walker, K.5
Holloway, B.C.6
Echegoyen, L.7
-
54
-
-
0000903506
-
-
Kamat, P. V, Guldi, D. M, Kadish, K. M, Eds, The Electrochemical Society: Pennington, NJ
-
Cases, M.; Duran, M.; Mestres, J.; Martin, N.; Sola, M. In Fullerenes for the New Millennium; Kamat, P. V., Guldi, D. M., Kadish, K. M., Eds.; The Electrochemical Society: Pennington, NJ, 2001; Vol. 11, p 244-269.
-
(2001)
Fullerenes for the New Millennium
, vol.11
, pp. 244-269
-
-
Cases, M.1
Duran, M.2
Mestres, J.3
Martin, N.4
Sola, M.5
-
55
-
-
12444252034
-
-
Krause, M.; Wong, J.; Dunsch, L. ChemsEur. J. 2005, 11, 706-711.
-
(2005)
ChemsEur. J
, vol.11
, pp. 706-711
-
-
Krause, M.1
Wong, J.2
Dunsch, L.3
-
57
-
-
34250872670
-
-
Kroto, H. W. Nature 1987, 329, 529-531.
-
(1987)
Nature
, vol.329
, pp. 529-531
-
-
Kroto, H.W.1
-
59
-
-
33845279213
-
-
Schmalz, T. G.; Seitz, W. A.; Klein, D. J.; Hite, G. E. J. Am. Chem. Soc. 1988, 110, 1113-1127.
-
(1988)
J. Am. Chem. Soc
, vol.110
, pp. 1113-1127
-
-
Schmalz, T.G.1
Seitz, W.A.2
Klein, D.J.3
Hite, G.E.4
-
60
-
-
47349094995
-
-
(a) Lu, X.; Nikawa, H.; Nakahodo, T.; Tsuchiya, T.; Ishitsuka, M. O.; Maeda, Y.; Akasaka, T.; Toki, M.; Sawa, H.; Slanina, Z.; Mizorogi, N.; Nagase, S. J. Am. Chem. Soc. 2008, 130, 9129-9136.
-
(2008)
J. Am. Chem. Soc
, vol.130
, pp. 9129-9136
-
-
Lu, X.1
Nikawa, H.2
Nakahodo, T.3
Tsuchiya, T.4
Ishitsuka, M.O.5
Maeda, Y.6
Akasaka, T.7
Toki, M.8
Sawa, H.9
Slanina, Z.10
Mizorogi, N.11
Nagase, S.12
-
61
-
-
55249105938
-
-
(b) Lu, X.; Nikawa, H.; Tsuchiya, T.; Maeda, Y.; Ishitsuka, M. O.; Akasaka, T.; Toki, M.; Sawa, H.; Slanina, Z.; Mizorogi, N.; Nagase, S. Angew. Chem., Int. Ed. 2008, 47, 8642-8645.
-
(2008)
Angew. Chem., Int. Ed
, vol.47
, pp. 8642-8645
-
-
Lu, X.1
Nikawa, H.2
Tsuchiya, T.3
Maeda, Y.4
Ishitsuka, M.O.5
Akasaka, T.6
Toki, M.7
Sawa, H.8
Slanina, Z.9
Mizorogi, N.10
Nagase, S.11
|