-
1
-
-
0003714767
-
-
2nd ed., M. Dekker, New York
-
Handbook of Conducting Polymers (Eds.: T. A. Skotheim, R. L. Elsenbaumer, J. R. Reynolds), 2nd ed., M. Dekker, New York, 1998; Handbook of Organic Conductive Molecules and Polymers (Ed.: H. Nalwa), Wiley, Dekker, New York, 1997; A. Graja, Low-Dimensional Organic Conductors, World Scientific, Singapore, 1992; J. R. Ferraro, J. M. Williams, Introduction to Synthetic Electrical Conductors, Academic Press, Orlando, 1987; S. Hünig, J. Mater. Chem. 1995, 5, 1469.
-
(1998)
Handbook of Conducting Polymers
-
-
Skotheim, T.A.1
Elsenbaumer, R.L.2
Reynolds, J.R.3
-
2
-
-
0003595556
-
-
Wiley, Dekker, New York
-
Handbook of Conducting Polymers (Eds.: T. A. Skotheim, R. L. Elsenbaumer, J. R. Reynolds), 2nd ed., M. Dekker, New York, 1998; Handbook of Organic Conductive Molecules and Polymers (Ed.: H. Nalwa), Wiley, Dekker, New York, 1997; A. Graja, Low-Dimensional Organic Conductors, World Scientific, Singapore, 1992; J. R. Ferraro, J. M. Williams, Introduction to Synthetic Electrical Conductors, Academic Press, Orlando, 1987; S. Hünig, J. Mater. Chem. 1995, 5, 1469.
-
(1997)
Handbook of Organic Conductive Molecules and Polymers
-
-
Nalwa, H.1
-
3
-
-
0003529205
-
-
World Scientific, Singapore
-
Handbook of Conducting Polymers (Eds.: T. A. Skotheim, R. L. Elsenbaumer, J. R. Reynolds), 2nd ed., M. Dekker, New York, 1998; Handbook of Organic Conductive Molecules and Polymers (Ed.: H. Nalwa), Wiley, Dekker, New York, 1997; A. Graja, Low-Dimensional Organic Conductors, World Scientific, Singapore, 1992; J. R. Ferraro, J. M. Williams, Introduction to Synthetic Electrical Conductors, Academic Press, Orlando, 1987; S. Hünig, J. Mater. Chem. 1995, 5, 1469.
-
(1992)
Low-Dimensional Organic Conductors
-
-
Graja, A.1
-
4
-
-
0004000117
-
-
Academic Press, Orlando
-
Handbook of Conducting Polymers (Eds.: T. A. Skotheim, R. L. Elsenbaumer, J. R. Reynolds), 2nd ed., M. Dekker, New York, 1998; Handbook of Organic Conductive Molecules and Polymers (Ed.: H. Nalwa), Wiley, Dekker, New York, 1997; A. Graja, Low-Dimensional Organic Conductors, World Scientific, Singapore, 1992; J. R. Ferraro, J. M. Williams, Introduction to Synthetic Electrical Conductors, Academic Press, Orlando, 1987; S. Hünig, J. Mater. Chem. 1995, 5, 1469.
-
(1987)
Introduction to Synthetic Electrical Conductors
-
-
Ferraro, J.R.1
Williams, J.M.2
-
5
-
-
37049071580
-
-
Handbook of Conducting Polymers (Eds.: T. A. Skotheim, R. L. Elsenbaumer, J. R. Reynolds), 2nd ed., M. Dekker, New York, 1998; Handbook of Organic Conductive Molecules and Polymers (Ed.: H. Nalwa), Wiley, Dekker, New York, 1997; A. Graja, Low-Dimensional Organic Conductors, World Scientific, Singapore, 1992; J. R. Ferraro, J. M. Williams, Introduction to Synthetic Electrical Conductors, Academic Press, Orlando, 1987; S. Hünig, J. Mater. Chem. 1995, 5, 1469.
-
(1995)
J. Mater. Chem.
, vol.5
, pp. 1469
-
-
Hünig, S.1
-
6
-
-
0003502895
-
-
Prentice Hall, Englewood Cliffs, NJ
-
J. M. Williams, Organic Superconductors (Including Fullerenes): Synthesis, Structure, Properties, and Theory, Prentice Hall, Englewood Cliffs, NJ. 1992; T. Ishiguro, K. Yamaji, G. Saito, Organic Superconductors, Springer, New York, 1998.
-
(1992)
Organic Superconductors (Including Fullerenes): Synthesis, Structure, Properties, and Theory
-
-
Williams, J.M.1
-
7
-
-
0004203109
-
-
Springer, New York
-
J. M. Williams, Organic Superconductors (Including Fullerenes): Synthesis, Structure, Properties, and Theory, Prentice Hall, Englewood Cliffs, NJ. 1992; T. Ishiguro, K. Yamaji, G. Saito, Organic Superconductors, Springer, New York, 1998.
-
(1998)
Organic Superconductors
-
-
Ishiguro, T.1
Yamaji, K.2
Saito, G.3
-
12
-
-
0001616176
-
-
e) J. S. Miller, A. J. Epstein, Angew. Chem. 1994, 106, 399; Angew. Chem. Int. Ed. Engl. 1994, 33, 385;
-
(1994)
Angew. Chem.
, vol.106
, pp. 399
-
-
Miller, J.S.1
Epstein, A.J.2
-
13
-
-
33748886713
-
-
e) J. S. Miller, A. J. Epstein, Angew. Chem. 1994, 106, 399; Angew. Chem. Int. Ed. Engl. 1994, 33, 385;
-
(1994)
Angew. Chem. Int. Ed. Engl.
, vol.33
, pp. 385
-
-
-
20
-
-
33845281914
-
-
a) J. S. Miller, J. C. Calabrese, H. Rommelmann, S. Chittipeddi, A. J. Epstein, J. H. Zhang, W. M. Reiff, J. Am. Chem. Soc. 1987, 109, 769;
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 769
-
-
Miller, J.S.1
Calabrese, J.C.2
Rommelmann, H.3
Chittipeddi, S.4
Epstein, A.J.5
Zhang, J.H.6
Reiff, W.M.7
-
21
-
-
33845185333
-
-
b) J. S. Miller, D. T. Glatzhofer, D. M. O'Hare, W. M. Reiff, A. Chakraborty, A. J. Epstein, Inorg. Chem. 1989, 28, 2930;
-
(1989)
Inorg. Chem.
, vol.28
, pp. 2930
-
-
Miller, J.S.1
Glatzhofer, D.T.2
O'Hare, D.M.3
Reiff, W.M.4
Chakraborty, A.5
Epstein, A.J.6
-
22
-
-
0028493507
-
-
c) A. Zheludev, A. Grand, E. Ressouche, J. Schweizer, B. Morin, A. J. Epstein, D. A. Dixon, J. S. Miller, J. Am. Chem. Soc. 1994, 116, 7243;
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 7243
-
-
Zheludev, A.1
Grand, A.2
Ressouche, E.3
Schweizer, J.4
Morin, B.5
Epstein, A.J.6
Dixon, D.A.7
Miller, J.S.8
-
23
-
-
84912954440
-
-
d) T. V. Baukova, O. G. Ellert, L. G. Kuz'mina, N. V. Dvortsova, D. A. Lemenovskii, A. Z. Rubezhov, Mendeleev Commun. 1991, 22;
-
(1991)
Mendeleev Commun.
, pp. 22
-
-
Baukova, T.V.1
Ellert, O.G.2
Kuz'mina, L.G.3
Dvortsova, N.V.4
Lemenovskii, D.A.5
Rubezhov, A.Z.6
-
24
-
-
0020780495
-
-
e) S. Flandrois, K. Ludolf, H. J. Keller, D. Nöthe, S. R. Bodeson, Z. G. Soos, D. Wehe, Mol. Cryst. Liq. Cryst. 1983, 95, 149;
-
(1983)
Mol. Cryst. Liq. Cryst.
, vol.95
, pp. 149
-
-
Flandrois, S.1
Ludolf, K.2
Keller, H.J.3
Nöthe, D.4
Bodeson, S.R.5
Soos, Z.G.6
Wehe, D.7
-
25
-
-
0025307993
-
-
f) J. S. Miller, D. A. Dixon, J. C. Calabrese, C. Vazquez, P. J. Krusic, M. D. Ward, E. Wasserman, R. L. Harlow, J. Am. Chem. Soc. 1990, 112, 381;
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 381
-
-
Miller, J.S.1
Dixon, D.A.2
Calabrese, J.C.3
Vazquez, C.4
Krusic, P.J.5
Ward, M.D.6
Wasserman, E.7
Harlow, R.L.8
-
26
-
-
0001315078
-
-
g) S. Barlow, V. J. Murphy, J. S. O. Evans, D. O'Hare, Organometallics 1995, 14, 3461.
-
(1995)
Organometallics
, vol.14
, pp. 3461
-
-
Barlow, S.1
Murphy, V.J.2
Evans, J.S.O.3
O'Hare, D.4
-
27
-
-
0001890334
-
-
J. Zhang, L. M. Liable-Sands, A. L. Rheingold, R. E. Del Sesto, D. C. Gordon, B. M. Burkhart, J. S. Miller, Chem. Commun. 1998, 1385.
-
(1998)
Chem. Commun.
, pp. 1385
-
-
Zhang, J.1
Liable-Sands, L.M.2
Rheingold, A.L.3
Del Sesto, R.E.4
Gordon, D.C.5
Burkhart, B.M.6
Miller, J.S.7
-
29
-
-
0001633761
-
-
b) J. S. Miller, D. M. O'Hare, A. Charkraborty, A. J. Epstein, 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
Charkraborty, A.3
Epstein, A.J.4
-
30
-
-
0000945706
-
-
c) D. A. Lemervoskii, R. A. Stukan, B. N. Tarasevich, Tu. L. Slovokhotov, M. Yu. Antipin A. E. Kalinin, Yu. T. Struchov, Struct. Khim. 1981, 7, 240;
-
(1981)
Struct. Khim.
, vol.7
, pp. 240
-
-
Lemervoskii, D.A.1
Stukan, R.A.2
Tarasevich, B.N.3
Slovokhotov, Tu.L.4
Antipin, M.Yu.5
Kalinin, A.E.6
Struchov, Yu.T.7
-
31
-
-
84989132201
-
-
d) H. Bock, K. Ruppert, D. Fenske, H. Goesmann, Z. Anorg. Allg. Chem. 1991, 595, 275;
-
(1991)
Z. Anorg. Allg. Chem.
, vol.595
, pp. 275
-
-
Bock, H.1
Ruppert, K.2
Fenske, D.3
Goesmann, H.4
-
32
-
-
0035937887
-
-
e) J. S. Miller, D. T. Glatzhofer, C. Vazquez, R. S. McLean, J. C. Calabrese, W. J. Marshall, J. W. Raebiger, Inorg. Chem. 2001. 40, 2058;
-
(2001)
Inorg. Chem.
, vol.40
, pp. 2058
-
-
Miller, J.S.1
Glatzhofer, D.T.2
Vazquez, C.3
McLean, R.S.4
Calabrese, J.C.5
Marshall, W.J.6
Raebiger, J.W.7
-
34
-
-
0034659832
-
-
g) M. T. Johnson, C. F. Campana, B. M. Foxman, W. Desmarais, M. J. Vela, J. S. Miller, Chem. Eur. J. 2000, 6, 1805;
-
(2000)
Chem. Eur. J.
, vol.6
, pp. 1805
-
-
Johnson, M.T.1
Campana, C.F.2
Foxman, B.M.3
Desmarais, W.4
Vela, M.J.5
Miller, J.S.6
-
35
-
-
0001625824
-
-
h) J. R. Fox, B. M. Foxman, D. Guerrer, J. S. Miller, A. H. Reis, Jr., J. Mater. Chem. 1996, 6, 1627;
-
(1996)
J. Mater. Chem.
, vol.6
, pp. 1627
-
-
Fox, J.R.1
Foxman, B.M.2
Guerrer, D.3
Miller, J.S.4
Reis A.H., Jr.5
-
36
-
-
2242443839
-
-
i) R. E. Del Sesto, R. E. Sommer, J. S. Miller, CrystEngComm 2001, 3, 47;
-
(2001)
CrystEngComm
, vol.3
, pp. 47
-
-
Del Sesto, R.E.1
Sommer, R.E.2
Miller, J.S.3
-
38
-
-
0025307993
-
-
k) J. S. Miller, D. A. Dixon, J. C. Calabrese, C. Vazquez, P. J. Krusic, M. D. Ward, E. Wasserman, R. L. Harlow, J. Am. Chem. Soc. 1990, 112, 381;
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 381
-
-
Miller, J.S.1
Dixon, D.A.2
Calabrese, J.C.3
Vazquez, C.4
Krusic, P.J.5
Ward, M.D.6
Wasserman, E.7
Harlow, R.L.8
-
40
-
-
0011786288
-
-
m) R. E. Del Sesto, M. Botoshansky, M. Kaftory, J. S. Miller, CrystEngComm 2002, 4, 106.
-
(2002)
CrystEngComm
, vol.4
, pp. 106
-
-
Del Sesto, R.E.1
Botoshansky, M.2
Kaftory, M.3
Miller, J.S.4
-
41
-
-
0001597180
-
-
J. J. Novoa, P. Lafuente, R. E. Del Sesto, J. S. Miller, Angew. Chem. 2001, 113, 2608; Angew. Chem. Int. Ed. 2001, 40, 2540.
-
(2001)
Angew. Chem.
, vol.113
, pp. 2608
-
-
Novoa, J.J.1
Lafuente, P.2
Del Sesto, R.E.3
Miller, J.S.4
-
42
-
-
0035796428
-
-
J. J. Novoa, P. Lafuente, R. E. Del Sesto, J. S. Miller, Angew. Chem. 2001, 113, 2608; Angew. Chem. Int. Ed. 2001, 40, 2540.
-
(2001)
Angew. Chem. Int. Ed.
, vol.40
, pp. 2540
-
-
-
43
-
-
0001770395
-
-
C. Vazquez, J. C. Calabrese, D. A. Dixon, J. S. Miller, J. Org. Chem. 1993, 58, 65.
-
(1993)
J. Org. Chem.
, vol.58
, pp. 65
-
-
Vazquez, C.1
Calabrese, J.C.2
Dixon, D.A.3
Miller, J.S.4
-
44
-
-
0030797580
-
-
G. Kaupp, J. Boy, Angew. Chem. 1997, 109, 48; Angew. Chem. Int. Ed. 1997, 36, 48; F. Toda, Eur. J. Org. Chem. 2000, 1377.
-
(1997)
Angew. Chem.
, vol.109
, pp. 48
-
-
Kaupp, G.1
Boy, J.2
-
45
-
-
0030797580
-
-
G. Kaupp, J. Boy, Angew. Chem. 1997, 109, 48; Angew. Chem. Int. Ed. 1997, 36, 48; F. Toda, Eur. J. Org. Chem. 2000, 1377.
-
(1997)
Angew. Chem. Int. Ed.
, vol.36
, pp. 48
-
-
-
46
-
-
0034015677
-
-
G. Kaupp, J. Boy, Angew. Chem. 1997, 109, 48; Angew. Chem. Int. Ed. 1997, 36, 48; F. Toda, Eur. J. Org. Chem. 2000, 1377.
-
(2000)
Eur. J. Org. Chem.
, pp. 1377
-
-
Toda, F.1
-
47
-
-
0000769712
-
-
W. D. Phillips, J. C. Powell, J. Chem. Phys. 1960, 33, 626; R. Chang, J. Phys. Chem. 1970, 74, 2029; D. B. Chesnut, W. D. Phillips, J. Chem. Phys. 1961, 35, 1002.
-
(1960)
J. Chem. Phys.
, vol.33
, pp. 626
-
-
Phillips, W.D.1
Powell, J.C.2
-
48
-
-
0000365435
-
-
W. D. Phillips, J. C. Powell, J. Chem. Phys. 1960, 33, 626; R. Chang, J. Phys. Chem. 1970, 74, 2029; D. B. Chesnut, W. D. Phillips, J. Chem. Phys. 1961, 35, 1002.
-
(1970)
J. Phys. Chem.
, vol.74
, pp. 2029
-
-
Chang, R.1
-
49
-
-
0000795620
-
-
W. D. Phillips, J. C. Powell, J. Chem. Phys. 1960, 33, 626; R. Chang, J. Phys. Chem. 1970, 74, 2029; D. B. Chesnut, W. D. Phillips, J. Chem. Phys. 1961, 35, 1002.
-
(1961)
J. Chem. Phys.
, vol.35
, pp. 1002
-
-
Chesnut, D.B.1
Phillips, W.D.2
-
51
-
-
0033450482
-
-
S. Mikami, K-i. Sugiura, J. S. Miller, Y. Sakata, Chem. Lett. 1999, 413; H. Zhao, R. A. Heinz, K. R. Dunbar, R. D. Rogers, J. Am. Chem. Soc. 1996, 118, 12844; R. H. Harms, H. J. Keller, D. Nöthe, M. Werner, D. Grundel, H. Sixl, Z. G. Soos, R. M. Metzger, Mol. Cryst. Liq. Cryst. 1981, 65, 179; S. K. Hoffman, P. J. Corvan, P. Singh, C. N. Sethuklekshmi, R. M. Metzer, W. E. Hatfield, J. Am. Chem. Soc. 1983, 105, 4608; V. Dong, H. Endres, H. J. Keller, W. Moroni, D. Nöthe, Acta Crystallogr. Sect. B 1977, 33, 2428.
-
(1999)
Chem. Lett.
, pp. 413
-
-
Mikami, S.1
Sugiura, K.-I.2
Miller, J.S.3
Sakata, Y.4
-
52
-
-
0030455402
-
-
S. Mikami, K-i. Sugiura, J. S. Miller, Y. Sakata, Chem. Lett. 1999, 413; H. Zhao, R. A. Heinz, K. R. Dunbar, R. D. Rogers, J. Am. Chem. Soc. 1996, 118, 12844; R. H. Harms, H. J. Keller, D. Nöthe, M. Werner, D. Grundel, H. Sixl, Z. G. Soos, R. M. Metzger, Mol. Cryst. Liq. Cryst. 1981, 65, 179; S. K. Hoffman, P. J. Corvan, P. Singh, C. N. Sethuklekshmi, R. M. Metzer, W. E. Hatfield, J. Am. Chem. Soc. 1983, 105, 4608; V. Dong, H. Endres, H. J. Keller, W. Moroni, D. Nöthe, Acta Crystallogr. Sect. B 1977, 33, 2428.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 12844
-
-
Zhao, H.1
Heinz, R.A.2
Dunbar, K.R.3
Rogers, R.D.4
-
53
-
-
0019664060
-
-
S. Mikami, K-i. Sugiura, J. S. Miller, Y. Sakata, Chem. Lett. 1999, 413; H. Zhao, R. A. Heinz, K. R. Dunbar, R. D. Rogers, J. Am. Chem. Soc. 1996, 118, 12844; R. H. Harms, H. J. Keller, D. Nöthe, M. Werner, D. Grundel, H. Sixl, Z. G. Soos, R. M. Metzger, Mol. Cryst. Liq. Cryst. 1981, 65, 179; S. K. Hoffman, P. J. Corvan, P. Singh, C. N. Sethuklekshmi, R. M. Metzer, W. E. Hatfield, J. Am. Chem. Soc. 1983, 105, 4608; V. Dong, H. Endres, H. J. Keller, W. Moroni, D. Nöthe, Acta Crystallogr. Sect. B 1977, 33, 2428.
-
(1981)
Mol. Cryst. Liq. Cryst.
, vol.65
, pp. 179
-
-
Harms, R.H.1
Keller, H.J.2
Nöthe, D.3
Werner, M.4
Grundel, D.5
Sixl, H.6
Soos, Z.G.7
Metzger, R.M.8
-
54
-
-
0020783072
-
-
S. Mikami, K-i. Sugiura, J. S. Miller, Y. Sakata, Chem. Lett. 1999, 413; H. Zhao, R. A. Heinz, K. R. Dunbar, R. D. Rogers, J. Am. Chem. Soc. 1996, 118, 12844; R. H. Harms, H. J. Keller, D. Nöthe, M. Werner, D. Grundel, H. Sixl, Z. G. Soos, R. M. Metzger, Mol. Cryst. Liq. Cryst. 1981, 65, 179; S. K. Hoffman, P. J. Corvan, P. Singh, C. N. Sethuklekshmi, R. M. Metzer, W. E. Hatfield, J. Am. Chem. Soc. 1983, 105, 4608; V. Dong, H. Endres, H. J. Keller, W. Moroni, D. Nöthe, Acta Crystallogr. Sect. B 1977, 33, 2428.
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 4608
-
-
Hoffman, S.K.1
Corvan, P.J.2
Singh, P.3
Sethuklekshmi, C.N.4
Metzer, R.M.5
Hatfield, W.E.6
-
55
-
-
0001624241
-
-
S. Mikami, K-i. Sugiura, J. S. Miller, Y. Sakata, Chem. Lett. 1999, 413; H. Zhao, R. A. Heinz, K. R. Dunbar, R. D. Rogers, J. Am. Chem. Soc. 1996, 118, 12844; R. H. Harms, H. J. Keller, D. Nöthe, M. Werner, D. Grundel, H. Sixl, Z. G. Soos, R. M. Metzger, Mol. Cryst. Liq. Cryst. 1981, 65, 179; S. K. Hoffman, P. J. Corvan, P. Singh, C. N. Sethuklekshmi, R. M. Metzer, W. E. Hatfield, J. Am. Chem. Soc. 1983, 105, 4608; V. Dong, H. Endres, H. J. Keller, W. Moroni, D. Nöthe, Acta Crystallogr. Sect. B 1977, 33, 2428.
-
(1977)
Acta Crystallogr. Sect. B
, vol.33
, pp. 2428
-
-
Dong, V.1
Endres, H.2
Keller, H.J.3
Moroni, W.4
Nöthe, D.5
-
56
-
-
33947086809
-
-
a) P. Becker, P. Coppens, R. K. Ross, J. Am. Chem. Soc. 1973, 95, 7604;
-
(1973)
J. Am. Chem. Soc.
, vol.95
, pp. 7604
-
-
Becker, P.1
Coppens, P.2
Ross, R.K.3
-
57
-
-
0001699173
-
-
b) R. G. Littel, D. Paultier, P. Coppens, Acta Crystallogr. Sect. B 1971, 27, 1493; U. Druck, H. Guth, Z. Kristallogr. 1982, 161, 103.
-
(1971)
Acta Crystallogr. Sect. B
, vol.27
, pp. 1493
-
-
Littel, R.G.1
Paultier, D.2
Coppens, P.3
-
58
-
-
0000700133
-
-
b) R. G. Littel, D. Paultier, P. Coppens, Acta Crystallogr. Sect. B 1971, 27, 1493; U. Druck, H. Guth, Z. Kristallogr. 1982, 161, 103.
-
(1982)
Z. Kristallogr.
, vol.161
, pp. 103
-
-
Druck, U.1
Guth, H.2
-
60
-
-
2242450037
-
-
note
-
.- UB3LYP/6-31 + G(2d,2p) calculations.
-
-
-
-
61
-
-
0003468774
-
-
Academic Press, Macmillan, New York, Chapters 3 and 4
-
A. Szabo, N. S. Ostlund, Modern Quantum Chemistry, Academic Press, Macmillan, New York, 1982, Chapters 3 and 4.
-
(1982)
Modern Quantum Chemistry
-
-
Szabo, A.1
Ostlund, N.S.2
-
63
-
-
0000735284
-
-
M. L. McKee, M. Bühl, O. P. Charkin, P. von R. Schleyer, Inorg. Chem. 1993, 32, 4549.
-
(1993)
Inorg. Chem.
, vol.32
, pp. 4549
-
-
McKee, M.L.1
Bühl, M.2
Charkin, O.P.3
Schleyer, P.V.R.4
-
64
-
-
0000765501
-
-
a) M. Bremer, P. von R. Schleyer, K. Schötz, M. Kausch, M. Schinder, Angew. Chem. 1987, 99, 761; Angew. Chem. Int. Ed. 1987, 26, 761;
-
(1987)
Angew. Chem.
, vol.99
, pp. 761
-
-
Bremer, M.1
Schleyer, P.V.R.2
Schötz, K.3
Kausch, M.4
Schinder, M.5
-
65
-
-
84985609902
-
-
a) M. Bremer, P. von R. Schleyer, K. Schötz, M. Kausch, M. Schinder, Angew. Chem. 1987, 99, 761; Angew. Chem. Int. Ed. 1987, 26, 761;
-
(1987)
Angew. Chem. Int. Ed.
, vol.26
, pp. 761
-
-
-
66
-
-
0001718667
-
-
b) G. K. S. Prakash, V. V. Krishnamurthy, R. Herges, R. Bau, G. Olah, W-D. Fessner, H. Prinzbach, J. Am. Chem. Soc. 1986, 108, 836;
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 836
-
-
Prakash, G.K.S.1
Krishnamurthy, V.V.2
Herges, R.3
Bau, R.4
Olah, G.5
Fessner, W.-D.6
Prinzbach, H.7
-
67
-
-
0001678076
-
-
c) R. Herges, .P von R. Schleyer, M. Schinder, W.-D. Fessner, J. Am. Chem. Soc. 1991, 113, 3649.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 3649
-
-
Herges, R.1
Schleyer, P.V.R.2
Schinder, M.3
Fessner, W.-D.4
-
68
-
-
0009647459
-
-
a) J. J. Novoa, M.-H. Whangbo, J. M. Williams, J. Chem. Phys. 1991, 94, 4835;
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 4835
-
-
Novoa, J.J.1
Whangbo, M.-H.2
Williams, J.M.3
-
69
-
-
0000053622
-
-
b) J. J. Novoa, P. Lafuente, F. Mota, Chem. Phys. Lett. 1998, 290, 519.
-
(1998)
Chem. Phys. Lett.
, vol.290
, pp. 519
-
-
Novoa, J.J.1
Lafuente, P.2
Mota, F.3
-
74
-
-
0003438540
-
-
Cornell University Press, Ithaca, NY
-
L. Pauling, The Nature of the Chemical Bond, 3rd Ed., Cornell University Press, Ithaca, NY, 1960; a) p. 260; b) p. 122; c) p. 5.
-
(1960)
The Nature of the Chemical Bond, 3rd Ed.
, pp. 260
-
-
Pauling, L.1
-
76
-
-
0033958632
-
-
b) J. J. Novoa, I. Nobeli, F. Greppioni, D. Braga, New. J. Chem. 2000, 5;
-
(2000)
New. J. Chem.
, pp. 5
-
-
Novoa, J.J.1
Nobeli, I.2
Greppioni, F.3
Braga, D.4
-
77
-
-
0003491460
-
-
(Eds.: J. A. K. Howard, F. H. Allen, G. P. Shields), Kluwer, Amsterdam
-
c) J. J. Novoa, in Implications of Molecular Materials Structure for New Technologies (Eds.: J. A. K. Howard, F. H. Allen, G. P. Shields), Kluwer, Amsterdam, 1999.
-
(1999)
Implications of Molecular Materials Structure for New Technologies
-
-
Novoa, J.J.1
-
78
-
-
2242431091
-
-
D. Braga, F. Greppioni, F. Mota, J. J. Novoa, Chem. Eur J. 2002, 8; 1163; D. Braga, L. Maini, F. Grepioni, F. Mota, C. Rovira, J. J. Novoa, Chem. Eur. J. 2000, 6, 4536.
-
(2002)
Chem. Eur. J.
, vol.8
, pp. 1163
-
-
Braga, D.1
Greppioni, F.2
Mota, F.3
Novoa, J.J.4
-
79
-
-
0034671368
-
-
D. Braga, F. Greppioni, F. Mota, J. J. Novoa, Chem. Eur J. 2002, 8; 1163; D. Braga, L. Maini, F. Grepioni, F. Mota, C. Rovira, J. J. Novoa, Chem. Eur. J. 2000, 6, 4536.
-
(2000)
Chem. Eur. J.
, vol.6
, pp. 4536
-
-
Braga, D.1
Maini, L.2
Grepioni, F.3
Mota, F.4
Rovira, C.5
Novoa, J.J.6
-
80
-
-
2242483216
-
-
note
-
±x is the standard deviation from the average.
-
-
-
-
81
-
-
2242462544
-
-
note
-
[5c] is dissolved in MeTHF and is cooled to 77 K.
-
-
-
-
82
-
-
2242466924
-
-
note
-
The orbital energy between occupied and empty orbitals is an arbitrary value at the Hartree-Fock level because the orbital energy of the empty orbitals is arbitrary. Therefore, it is meaningless to look at the orbital energy to obtain this value.
-
-
-
-
83
-
-
0000703066
-
-
J. B. Foresman, M. Head-Gordon, J. A. Pople, M. J. Frisch, J. Phys. Chem. 1992, 96, 135.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 135
-
-
Foresman, J.B.1
Head-Gordon, M.2
Pople, J.A.3
Frisch, M.J.4
-
84
-
-
2242455352
-
-
note
-
-1.
-
-
-
-
85
-
-
4043063516
-
-
2-; M. J. Rice, N. O. Lipari, S. Strassler, Phys. Rev. Lett. 1977, 39, 1359.
-
(1977)
Phys. Rev. Lett.
, vol.39
, pp. 1359
-
-
Rice, M.J.1
Lipari, N.O.2
Strassler, S.3
-
86
-
-
2242446520
-
-
note
-
[5c]
-
-
-
-
87
-
-
2242421257
-
-
note
-
- interactions are frequently present, but at these long distances (>3.5 Å) the bonding properties disappear, due to the exponential of the orbital overlaps responsible for Δ.
-
-
-
-
88
-
-
0000791994
-
-
E. J. Brandon, D. K. Rittenberg, A. M. Arif, J. S. Miller, 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
-
89
-
-
0000189651
-
-
The B3LYP is a combination of the nonlocal three parameters exchange functional (A. D. Becke, J. Chem. Phys. 1993, 98, 5648) and nonlocal LYP correlation functional (C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1998, 37, 785).
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
90
-
-
0345491105
-
-
The B3LYP is a combination of the nonlocal three parameters exchange functional (A. D. Becke, J. Chem. Phys. 1993, 98, 5648) and nonlocal LYP correlation functional (C. Lee, W. Yang, R. G. Parr, Phys. Rev. B 1998, 37, 785).
-
(1998)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
91
-
-
36849115659
-
-
a) R. Ditchfield, W. J. Hehre, J. A. Pople, 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
-
92
-
-
84986468715
-
-
b) T. Clark, J. Chandrasekhar, G. W. Spitznagel, P. von R. Schleyer, J. Comp. Chem. 1983, 4, 294.
-
(1983)
J. Comp. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
93
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
Gaussian 98, Revision A.7, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, A. G. Baboul, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, J. L. Andres, C. Gonzalez, M. Head-Gordon, E. S. Replogle, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
Gaussian 98, Revision A.7
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery J.A., Jr.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, I.41
Gomperts, R.42
Martin, R.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Gonzalez, C.49
Challacombe, M.50
Gill, P.M.W.51
Johnson, B.52
Chen, W.53
Wong, M.W.54
Andres, J.L.55
Gonzalez, C.56
Head-Gordon, M.57
Replogle, E.S.58
Pople, J.A.59
more..
-
94
-
-
84986513726
-
-
F. Biegle-Kröning, R. F. W. Bader, W.-H. Tang, J. Comput. Chem. 1982, 3, 317.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 317
-
-
Biegle-Kröning, F.1
Bader, R.F.W.2
Tang, W.-H.3
|