-
1
-
-
13044312410
-
-
note
-
4-methylPP = tetra-p-tolylporphyrin.
-
-
-
-
2
-
-
33751156979
-
-
and references therein
-
Ferduco, M.; Olmstead, M. M.; Fawcett, W. R. Inorg. Chem. 1995, 34, 390-392, and references therein.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 390-392
-
-
Ferduco, M.1
Olmstead, M.M.2
Fawcett, W.R.3
-
3
-
-
33751386072
-
-
Ruoff, R. S.; Tse, D. S.; Malhotra, R.; Lorents, D. C. J. Phys. Chem. 1993, 97, 3379-3383.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 3379-3383
-
-
Ruoff, R.S.1
Tse, D.S.2
Malhotra, R.3
Lorents, D.C.4
-
4
-
-
0029290378
-
-
Gallagher, S. H.; Armstrong, R. S.; Lay, P. A.; Reed, C. A. J. Phys. Chem. 1995, 99, 5817-5825.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5817-5825
-
-
Gallagher, S.H.1
Armstrong, R.S.2
Lay, P.A.3
Reed, C.A.4
-
6
-
-
0028185194
-
-
(b) Atwood, J. L.; Koutsantonis, G. A.; Raston, C. L. Nature (London) 1994, 368, 229-231.
-
(1994)
Nature (London)
, vol.368
, pp. 229-231
-
-
Atwood, J.L.1
Koutsantonis, G.A.2
Raston, C.L.3
-
7
-
-
0000145492
-
-
Olsen, S. A.; Bond, A. M.; Compton, R. G.; Lazarev, G.; Mahon, P. J.; Marken, F.; Raston, C. L.; Tedesco, V.; Webster, R. D. J. Phys. Chem. A 1998, 102, 2641-2649.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 2641-2649
-
-
Olsen, S.A.1
Bond, A.M.2
Compton, R.G.3
Lazarev, G.4
Mahon, P.J.5
Marken, F.6
Raston, C.L.7
Tedesco, V.8
Webster, R.D.9
-
8
-
-
0033515806
-
-
(a) Yanase, M.; Haino, T.; Fukazawa, Y. Tetrahedron Lett. 1999, 40, 2781-2784.
-
(1999)
Tetrahedron Lett.
, vol.40
, pp. 2781-2784
-
-
Yanase, M.1
Haino, T.2
Fukazawa, Y.3
-
9
-
-
85069124326
-
-
(b) Ikeda, A.; Yoshimura, M.; Udzu, H.; Fukuhara, C.; Shinkai, S. J. Am. Chem. Soc. 1999, 121, 4298-4299.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 4298-4299
-
-
Ikeda, A.1
Yoshimura, M.2
Udzu, H.3
Fukuhara, C.4
Shinkai, S.5
-
11
-
-
33751386245
-
-
Kimata, K.; Hosoya, K.; Araki, T.; Tanaka, N. J. Org. Chem. 1993, 58, 282-283.
-
(1993)
J. Org. Chem.
, vol.58
, pp. 282-283
-
-
Kimata, K.1
Hosoya, K.2
Araki, T.3
Tanaka, N.4
-
13
-
-
0028765754
-
-
Xiao, J.; Savina, M. R.; Martin, G. B.; Francis, A. H.; Meyerhoff, M. E. J. Am. Chem. Soc. 1994, 116, 9341-9342.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 9341-9342
-
-
Xiao, J.1
Savina, M.R.2
Martin, G.B.3
Francis, A.H.4
Meyerhoff, M.E.5
-
14
-
-
0001141748
-
-
Sun, Y.; Drovetskaya, T.; Bolskar, R. D.; Bau, R.; Boyd, P. D. W.; Reed, C. A. J. Org. Chem. 1997, 62, 3642-3649.
-
(1997)
J. Org. Chem.
, vol.62
, pp. 3642-3649
-
-
Sun, Y.1
Drovetskaya, T.2
Bolskar, R.D.3
Bau, R.4
Boyd, P.D.W.5
Reed, C.A.6
-
16
-
-
0033595559
-
-
Evans, D. R.; Fackler, N. L. P.; Xie, Z.; Rickard, C. E. F.; Boyd, P. D. W.; Reed, C. A. J. Am. Chem. Soc. 1999, 121, 8466-8474.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 8466-8474
-
-
Evans, D.R.1
Fackler, N.L.P.2
Xie, Z.3
Rickard, C.E.F.4
Boyd, P.D.W.5
Reed, C.A.6
-
17
-
-
13044279164
-
-
note
-
Typical distances are given in refs 21-25 of ref 14.
-
-
-
-
18
-
-
13044266088
-
-
note
-
Calculations carried out using CERIUS 2, version 3.5, 1997; Molecular Simulations: San Diego, CA.
-
-
-
-
19
-
-
0042041206
-
-
Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 10024-10035
-
-
Rappé, A.K.1
Casewit, C.J.2
Colwell, K.S.3
Goddard, W.A.4
Skiff, W.M.5
-
20
-
-
0001345932
-
-
Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 2515-2525
-
-
Hwang, M.J.1
Stockfisch, T.P.2
Hagler, A.T.3
-
21
-
-
0001658015
-
-
Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 2978-2987
-
-
Sun, H.1
Mumby, S.J.2
Maple, J.R.3
Hagler, A.T.4
-
22
-
-
0006786720
-
-
Universal Force Field, version 1.02: Rappé, A. K.; Casewit, C. J.; Colwell, K. S.; Goddard, W. A.; Skiff, W. M. J. Am. Chem. Soc. 1992, 114, 10024-10035. PCFF Force Field: Hwang, M. J.; Stockfisch, T. P.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2515-2525; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Am. Chem. Soc. 1994, 116, 2978-2987; Sun, H.; Mumby, S. J.; Maple, J. R.; Hagler, A. T. J. Phys. Chem. 1995, 99, 5873-5882.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 5873-5882
-
-
Sun, H.1
Mumby, S.J.2
Maple, J.R.3
Hagler, A.T.4
-
23
-
-
13044313854
-
-
note
-
Full geometry optimizations using the semiempirical PM3 model and the ab initio Hartree-Fock method with a minimal STO-3G basis set using Spartan 4.0; Wave function Inc.: Irvine, CA 92612.
-
-
-
-
24
-
-
0038023343
-
-
ADF 2.3.0, Theoretical Chemistry, Vrije Universiteit, Amsterdam. (a) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41-51. (b) te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84-98.
-
(1973)
Chem. Phys.
, vol.2
, pp. 41-51
-
-
Baerends, E.J.1
Ellis, D.E.2
Ros, P.3
-
25
-
-
28144440701
-
-
ADF 2.3.0, Theoretical Chemistry, Vrije Universiteit, Amsterdam. (a) Baerends, E. J.; Ellis, D. E.; Ros, P. Chem. Phys. 1973, 2, 41-51. (b) te Velde, G.; Baerends, E. J. J. Comput. Phys. 1992, 99, 84-98.
-
(1992)
J. Comput. Phys.
, vol.99
, pp. 84-98
-
-
Te Velde, G.1
Baerends, E.J.2
-
27
-
-
0033523243
-
-
Olmstead, M. M.; Costa, D. A.; Maitra, K.; Noll, B. C.; Phillips, S. L.; Van Calcar, P. M.; Balch, A. L. J. Am. Chem. Soc. 1999, 121, 7090-7097.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 7090-7097
-
-
Olmstead, M.M.1
Costa, D.A.2
Maitra, K.3
Noll, B.C.4
Phillips, S.L.5
Van Calcar, P.M.6
Balch, A.L.7
-
28
-
-
37049086516
-
-
Eichhorn, D. M.; Yang, S. L.; Jarrell, W.; Baumann, T. F.; Beall, L. S.; White, A. J. P.; Williams, D. J.; Barrett, A. G. M.; Hoffman, B. M. J. Chem. Soc., Chem. Commun. 1995, 1703-1704.
-
(1995)
J. Chem. Soc., Chem. Commun.
, pp. 1703-1704
-
-
Eichhorn, D.M.1
Yang, S.L.2
Jarrell, W.3
Baumann, T.F.4
Beall, L.S.5
White, A.J.P.6
Williams, D.J.7
Barrett, A.G.M.8
Hoffman, B.M.9
-
30
-
-
13044252053
-
-
note
-
14
-
-
-
-
34
-
-
33748216066
-
-
70: Bürgi, H. B.; Venugopalan, P.; Schwarzenbach, F.; Dieterich, F.; Thilgen, C. Helv. Chim. Acta 1993, 76, 2155-2159.
-
(1992)
Angew. Chem., Int. Ed. Engl.
, vol.31
, pp. 640-643
-
-
B̈rgi, H.B.1
Blanc, E.2
Schwarzenbach, D.3
Liu, S.4
Lu, Y.5
Kappes, M.M.6
Ibers, J.A.7
-
35
-
-
0001454030
-
-
70: Bürgi, H. B.; Venugopalan, P.; Schwarzenbach, F.; Dieterich, F.; Thilgen, C. Helv. Chim. Acta 1993, 76, 2155-2159.
-
(1993)
Helv. Chim. Acta
, vol.76
, pp. 2155-2159
-
-
Bürgi, H.B.1
Venugopalan, P.2
Schwarzenbach, F.3
Dieterich, F.4
Thilgen, C.5
-
41
-
-
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
-
43
-
-
0345491105
-
-
Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B: Condens. Matter 1988, 37, 785.
-
(1988)
Phys. Rev. B: Condens. Matter
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
|