-
4
-
-
33748886713
-
-
(b) Miller, J. S.; Epstein, A. J. Angew. Chem., Int. Ed. 1999, 33, 385.
-
(1999)
Angew. Chem., Int. Ed.
, vol.33
, pp. 385
-
-
Miller, J.S.1
Epstein, A.J.2
-
7
-
-
0034730538
-
-
Crayson, J. A.; Devine, J. N.; Walton, J. C. Tetrahedron 2000, 56, 7829.
-
(2000)
Tetrahedron
, vol.56
, pp. 7829
-
-
Crayson, J.A.1
Devine, J.N.2
Walton, J.C.3
-
8
-
-
0003714767
-
-
E.g.: Skotheim, T. A.; Elsenbaumer, R. L.; Reynolds, J. R., Eds. M. Dekker: New York
-
E.g.: Skotheim, T. A.; Elsenbaumer, R. L.; Reynolds, J. R., Eds. Handbook of conducting polymers, 2nd ed.; M. Dekker: New York, 1998.
-
(1998)
Handbook of Conducting Polymers, 2nd Ed.
-
-
-
10
-
-
0003502895
-
-
E.g.: Prentice Hall: Englewood Cliffs, NJ
-
E.g.: Williams, J. M. Organic superconductors (including fullerenes): synthesis, structure, properties, and theory; Prentice Hall: Englewood Cliffs, NJ, 1992.
-
(1992)
Organic Superconductors (Including Fullerenes): Synthesis, Structure, Properties, and Theory
-
-
Williams, J.M.1
-
13
-
-
67649589126
-
-
Angew. Chem. 2006, 117, 2570.
-
(2006)
Angew. Chem.
, vol.117
, pp. 2570
-
-
-
14
-
-
0026418902
-
-
(a) Manriquez, J. M.; Yee, G. T.; McLean, R. S.; Epstein, A. J.; Miller, J. S. Science 1991, 252, 1415.
-
(1991)
Science
, vol.252
, pp. 1415
-
-
Manriquez, J.M.1
Yee, G.T.2
McLean, R.S.3
Epstein, A.J.4
Miller, J.S.5
-
15
-
-
0000073807
-
-
Salaneck, W. R., Lundström, I., Rånby, B., Eds.; Oxford Univ. Press: Oxford
-
Miller, J. S.; Yee, G. T.; Manriquez, J. M.; Epstein, A. J. In Proceedings of Nobel Symposium #NS-81 Conjugated Polymers and Related Materials: The Interconnection of Chemical and Electronic Structure; Salaneck, W. R., Lundström, I., Rånby, B., Eds.; Oxford Univ. Press: Oxford, 1993; p 461.
-
(1993)
Proceedings of Nobel Symposium #NS-81 Conjugated Polymers and Related Materials: the Interconnection of Chemical and Electronic Structure
, pp. 461
-
-
Miller, J.S.1
Yee, G.T.2
Manriquez, J.M.3
Epstein, A.J.4
-
16
-
-
1542470361
-
-
(b) Zhang, J.; Zhou, P.; Brinckerhoff, W. B.; Epstein, A. J.; Vazquez, C.; McLean, R. S.; Miller, J. S. ACS Symp. Ser. 1996, 644, 311.
-
(1996)
ACS Symp. Ser.
, vol.644
, pp. 311
-
-
Zhang, J.1
Zhou, P.2
Brinckerhoff, W.B.3
Epstein, A.J.4
Vazquez, C.5
McLean, R.S.6
Miller, J.S.7
-
17
-
-
4744357241
-
-
Vickers, E. B.; Selby, T. D.; Thorum, M. D.; Taliaferro, M. L.; Miller, J. S. Inorg. Chem. 2004, 43, 6414.
-
(2004)
Inorg. Chem.
, vol.43
, pp. 6414
-
-
Vickers, E.B.1
Selby, T.D.2
Thorum, M.D.3
Taliaferro, M.L.4
Miller, J.S.5
-
18
-
-
33747885570
-
-
(a) Taliaferro, M. L.; Thorum, M. S.; Miller, J. S. Angew. Chem., Int. Ed. 2006, 45, 5326.
-
(2006)
Angew. Chem., Int. Ed.
, vol.45
, pp. 5326
-
-
Taliaferro, M.L.1
Thorum, M.S.2
Miller, J.S.3
-
19
-
-
33747886539
-
-
(b) Bagnato, J. D.; Shum, W. W.; Strohmeier, M.; Grant, D. M.; Arif, A. M.; Miller, J. S. Angew. Chem., Int. Ed. 2006, 45, 5322.
-
(2006)
Angew. Chem., Int. Ed.
, vol.45
, pp. 5322
-
-
Bagnato, J.D.1
Shum, W.W.2
Strohmeier, M.3
Grant, D.M.4
Arif, A.M.5
Miller, J.S.6
-
20
-
-
1642406610
-
-
Vickers, E. B.; Selby, T. D.; Miller, J. S. J. Am. Chem. Soc. 2004, 126, 3716.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 3716
-
-
Vickers, E.B.1
Selby, T.D.2
Miller, J.S.3
-
21
-
-
0037021030
-
-
(a) Del Sesto, R. E.; Miller, J. S.; Novoa, J. J.; Lafuente, P. Chem. - Eur. J. 2002, 8, 4894.
-
(2002)
Chem. - Eur. J.
, vol.8
, pp. 4894
-
-
Del Sesto, R.E.1
Miller, J.S.2
Novoa, J.J.3
Lafuente, P.4
-
23
-
-
46749116828
-
-
(c) Garcia-Yoldi, I.; Miller, J. S.; Novoa, J. J. Phys. Chem. Chem. Phys. 2008, 10, 4106.
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 4106
-
-
Garcia-Yoldi, I.1
Miller, J.S.2
Novoa, J.J.3
-
24
-
-
62149121337
-
-
(d) Garcia-Yoldi, I.; Miller, J. S.; Novoa, J. J. J. Phys. Chem. A 2009, 113, 484.
-
(2009)
J. Phys. Chem. A
, vol.113
, pp. 484
-
-
Garcia-Yoldi, I.1
Miller, J.S.2
Novoa, J.J.3
-
25
-
-
0033599299
-
-
(e) Goto, K.; Kubo, T.; Yamamoto, K.; Nakasuji, K.; Sato, K.; Shiomi, D.; Takui, T.; Kubota, M.; Kobayashi, T.; Yakusi, K.; Ouyang, J.; Nakasuji, K. J. Am. Chem. Soc. 1999, 121, 1619.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 1619
-
-
Goto, K.1
Kubo, T.2
Yamamoto, K.3
Nakasuji, K.4
Sato, K.5
Shiomi, D.6
Takui, T.7
Kubota, M.8
Kobayashi, T.9
Yakusi, K.10
Ouyang, J.11
Nakasuji, K.12
-
27
-
-
33846578363
-
-
(b) Garcia-Yoldi, I.; Mota, F.; Novoa, J. J. J. Comput. Chem. 2007, 28, 326.
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 326
-
-
Garcia-Yoldi, I.1
Mota, F.2
Novoa, J.J.3
-
28
-
-
43449106197
-
-
(a) Huang, J.; Kingsbury, S.; Kertesz, M. Phys. Chem. Chem. Phys. 2008, 10, 2625.
-
(2008)
Phys. Chem. Chem. Phys.
, vol.10
, pp. 2625
-
-
Huang, J.1
Kingsbury, S.2
Kertesz, M.3
-
31
-
-
0348221259
-
-
Moscherosch, M.; Waldhor, E.; Binder, H.; Kaim, W.; Fiedler, J. Inorg. Chem. 1995, 34, 4326.
-
(1995)
Inorg. Chem.
, vol.34
, pp. 4326
-
-
Moscherosch, M.1
Waldhor, E.2
Binder, H.3
Kaim, W.4
Fiedler, J.5
-
32
-
-
0000849757
-
-
Begland, R. W.; Hartter, D. R.; Donald, D. S.; Cairncross, A.; Sheppard, W. A. J. Org. Chem. 1974, 39, 1235.
-
(1974)
J. Org. Chem.
, vol.39
, pp. 1235
-
-
Begland, R.W.1
Hartter, D.R.2
Donald, D.S.3
Cairncross, A.4
Sheppard, W.A.5
-
33
-
-
0000791994
-
-
Brandon, E. J.; Rittenberg, D. K.; Arif, A. M.; Miller, J. S. Inorg. Chem. 1998, 37, 3376.
-
(1998)
Inorg. Chem.
, vol.37
, pp. 3376
-
-
Brandon, E.J.1
Rittenberg, D.K.2
Arif, A.M.3
Miller, J.S.4
-
36
-
-
33751215866
-
-
David, W. I. F.; Shankland, K.; van de Streek, J.; Pidcock, E.; Motherwell, W. D. S.; Cole, J. C. J. Appl. Crystallogr. 2006, 39, 910.
-
(2006)
J. Appl. Crystallogr.
, vol.39
, pp. 910
-
-
David, W.I.F.1
Shankland, K.2
Van De Streek, J.3
Pidcock, E.4
Motherwell, W.D.S.5
Cole, J.C.6
-
37
-
-
0000189651
-
-
B3LYP is a density functional obtained by taking the three parameter nonlocal exchange functional of Becke and the non-local correlation functional of Lee-Yang-Parr
-
B3LYP is a density functional obtained by taking the three parameter nonlocal exchange functional of Becke and the non-local correlation functional of Lee-Yang-Parr:(a) Becke, A. D., J. Chem. Phys. 1993, 98, 5648.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
38
-
-
0345491105
-
-
(b) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
39
-
-
36849115659
-
-
A basis set built by adding diffuse functions to the 6-31G(d) basis set
-
A basis set built by adding diffuse functions to the 6-31G(d) basis set: Ditchfield, R.; Hehre, W. J.; Pople, J. A. J. Chem. Phys. 1971, 54, 724.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
40
-
-
15744375697
-
-
Gaussian, Inc.: Wallingford, CT, See Supporting Information for the full reference
-
Frisch, M. J.; et al.; Gaussian-03, Revision-C.02; Gaussian, Inc.: Wallingford, CT, 2004. See Supporting Information for the full reference.
-
(2004)
Gaussian-03, Revision-C.02
-
-
Frisch, M.J.1
-
42
-
-
0001246313
-
-
23b studies when basis sets of good quality are used.
-
23b studies when basis sets of good quality are used. (a) van Duijneveldt, F. B.; van Duijneveldt-van de Rijdt, J. G. C. M.; van Lenthe, J. H. Chem. Rev. 1994, 94, 1873.
-
(1994)
Chem. Rev.
, vol.94
, pp. 1873
-
-
Van Duijneveldt, F.B.1
Van Duijneveldt-van De Rijdt, J.G.C.M.2
Van Lenthe, J.H.3
-
43
-
-
4243768822
-
-
(b) Novoa, J. J.; Planas, M.; Whangbo, M.-H. Chem. Phys. Lett. 1994, 225, 240.
-
(1994)
Chem. Phys. Lett.
, vol.225
, pp. 240
-
-
Novoa, J.J.1
Planas, M.2
Whangbo, M.-H.3
-
44
-
-
67649622871
-
-
2- was present
-
2- was present.
-
-
-
-
45
-
-
0001633761
-
-
(a) Miller, J. S.; O'Hare, D. M.; Chakraborty, A.; Epstein, A. J. J. Am. Chem. Soc. 1989, 111, 7853.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 7853
-
-
Miller, J.S.1
O'Hare, D.M.2
Chakraborty, A.3
Epstein, A.J.4
-
46
-
-
67649586819
-
-
Corrected for 2 ppm Fe impurity
-
(b) Corrected for 2 ppm Fe impurity.
-
-
-
-
48
-
-
84986513726
-
-
All atoms-in-molecules calculations were performed using PROAIM
-
(b) All atoms-in-molecules calculations were performed using PROAIM: Biegler-Konig, F. W.; Bader, R. F. W.; Tang, T. H. J. Comput. Chem. 1982, 3, 317.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317
-
-
Biegler-Konig, F.W.1
Bader, R.F.W.2
Tang, T.H.3
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