-
1
-
-
4744354031
-
-
Proceedings of the conference on Ferromagnetic and High Spin Molecular Based Materials; Miller, J. S., Dougherty, D., Eds.
-
(a) In Molecular Crystals and Liquid Crystals, Proceedings of the conference on Ferromagnetic and High Spin Molecular Based Materials; Miller, J. S., Dougherty, D., Eds.; 1989; Vol. 176.
-
(1989)
Molecular Crystals and Liquid Crystals
, vol.176
-
-
-
2
-
-
4744340080
-
-
Proceedings of the conference on Molecular Magnetic Materials; Kahn, O., Gatteschi, D., Miller, J. S., Palacio, F., Eds.
-
(b) In NATO ARW Molecular Magnetic Materials, Proceedings of the conference on Molecular Magnetic Materials; Kahn, O., Gatteschi, D., Miller, J. S., Palacio, F., Eds.; 1991; Vol. E198.
-
(1991)
NATO ARW Molecular Magnetic Materials
, vol.E198
-
-
-
3
-
-
4744364751
-
-
Proceedings of the conference on the Chemistry and Physics of Molecular Based Magnetic Materials; Iwamura, H., Miller, J. S., Eds.
-
(c) In Molecular Crystals and Liquid Crystals, Proceedings of the conference on the Chemistry and Physics of Molecular Based Magnetic Materials; Iwamura, H., Miller, J. S., Eds.; 1993; Vol. 232/233.
-
(1993)
Molecular Crystals and Liquid Crystals
, vol.232-233
-
-
-
4
-
-
4744354032
-
-
Proceedings of the conference on Molecule-based Magnets; Miller, J. S., Epstein, A. J., Eds.
-
(d) In Molecular Crystals and Liquid Crystals, Proceedings of the conference on Molecule-based Magnets; Miller, J. S., Epstein, A. J., Eds.; 1995; Vol. 271-274.
-
(1995)
Molecular Crystals and Liquid Crystals
, vol.271-274
-
-
-
5
-
-
4744359920
-
-
Proceedings of the conference on Molecular-Based Magnets; Itoh, K., Miller, J. S., Takui, T., Eds.
-
(e) In Molecular Crystals and Liquid Crystals, Proceedings of the conference on Molecular-Based Magnets; Itoh, K., Miller, J. S., Takui, T., Eds.; 1997; Vol. 305/306.
-
(1997)
Molecular Crystals and Liquid Crystals
, vol.305-306
-
-
-
11
-
-
33748886713
-
-
(e) Miller, J. S.; Epstein, A. J. Angew. Chem., Int. Ed. Engl. 1994, 33, 385.
-
(1994)
Angew. Chem., Int. Ed. Engl.
, vol.33
, pp. 385
-
-
Miller, J.S.1
Epstein, A.J.2
-
16
-
-
37049084738
-
-
(a) Miller, J. S.; Calabrese, J. C.; Epstein, A. J.; Bigelow, R. W.; Zhang, J. H.; Reiff, W. M. J. Chem. Soc., Chem. Commun. 1986, 1026.
-
(1986)
J. Chem. Soc., Chem. Commun.
, pp. 1026
-
-
Miller, J.S.1
Calabrese, J.C.2
Epstein, A.J.3
Bigelow, R.W.4
Zhang, J.H.5
Reiff, W.M.6
-
17
-
-
33845281914
-
-
(b) Miller, J. S.; Calabrese, J. C.; Rommelmann, H.; Chittipeddi, S.; Zhang, J. H.; Reiff, W. M.; Epstein, A. J. 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
Zhang, J.H.5
Reiff, W.M.6
Epstein, A.J.7
-
18
-
-
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
-
19
-
-
0007408993
-
-
Oxford University Press: Oxford
-
(b) Epstein, A. J.; Miller, J. S. In the Proceedings of Nobel Symposium NS-81 Conjugated Polymers and Related Materials: The Interconnection of Chemical and Electronic Structure; Oxford University Press: Oxford, 1993, p 475; La Chim. La Ind. 1993, 75, 185, 257.
-
(1993)
Proceedings of Nobel Symposium NS-81 Conjugated Polymers and Related Materials: The Interconnection of Chemical and Electronic Structure
, pp. 475
-
-
Epstein, A.J.1
Miller, J.S.2
-
20
-
-
0344335388
-
-
(b) Epstein, A. J.; Miller, J. S. In the Proceedings of Nobel Symposium NS-81 Conjugated Polymers and Related Materials: The Interconnection of Chemical and Electronic Structure; Oxford University Press: Oxford, 1993, p 475; La Chim. La Ind. 1993, 75, 185, 257.
-
(1993)
La Chim. La Ind.
, vol.75
, pp. 185
-
-
-
21
-
-
0000073807
-
-
Oxford University Press: Oxford
-
(c) Miller, J. S.; Yee, G. T.; Manriquez, J. M.; Epstein, A. J. In the Proceedings of Nobel Symposium NS-81 Conjugated Polymers and Related Materials: The Interconnection of Chemical and Electronic Structure; Oxford University Press: Oxford, 1993, p 461; La Chim. La Ind. 1992, 74, 845.
-
(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
-
22
-
-
0242393291
-
-
(c) Miller, J. S.; Yee, G. T.; Manriquez, J. M.; Epstein, A. J. In the Proceedings of Nobel Symposium NS-81 Conjugated Polymers and Related Materials: The Interconnection of Chemical and Electronic Structure; Oxford University Press: Oxford, 1993, p 461; La Chim. La Ind. 1992, 74, 845.
-
(1992)
La Chim. La Ind.
, vol.74
, pp. 845
-
-
-
23
-
-
1542470361
-
-
Zhang, J.; Zhou, P.; Brinckerhoff, W. B.; Epstein, A. J.; Vazquez, C.; McLean, R. S.; Miller, J. S. ACS Symp. Ser. 1996, 644, 311-318.
-
(1996)
ACS Symp. Ser.
, vol.644
, pp. 311-318
-
-
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
-
24
-
-
0033875330
-
-
Pokhodnya, K. I.; Epstein, A. J.; Miller, J. S. Adv. Mater. 2000, 12, 410.
-
(2000)
Adv. Mater.
, vol.12
, pp. 410
-
-
Pokhodnya, K.I.1
Epstein, A.J.2
Miller, J.S.3
-
25
-
-
0034897023
-
-
Pokhodnya, K. I.; Pejakovic, D.; Epstein, A. J.; Miller, J. S. Phys. Rev. B 2001, 63, 174408.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 174408
-
-
Pokhodnya, K.I.1
Pejakovic, D.2
Epstein, A.J.3
Miller, J.S.4
-
26
-
-
0037015309
-
-
Prigodin, V. N.; Raju, N. P.; Pokhodnya, K. I.; Miller, J. S.; Epstein, A. J. Adv. Mater. 2002, 14, 1230.
-
(2002)
Adv. Mater.
, vol.14
, pp. 1230
-
-
Prigodin, V.N.1
Raju, N.P.2
Pokhodnya, K.I.3
Miller, J.S.4
Epstein, A.J.5
-
27
-
-
0037156211
-
-
Pokhodnya, K. I.; Petersen, N.; Miller, J. S. Inorg. Chem. 2002, 41, 1996.
-
(2002)
Inorg. Chem.
, vol.41
, pp. 1996
-
-
Pokhodnya, K.I.1
Petersen, N.2
Miller, J.S.3
-
28
-
-
33947473326
-
-
(a) Melby, L. R.; Harder, R. J.; Hertjer, W. R.; Mahler, W.; Benson, R. E.; Mochel, W. E. J. Am. Chem. Soc. 1962, 84, 3374.
-
(1962)
J. Am. Chem. Soc.
, vol.84
, pp. 3374
-
-
Melby, L.R.1
Harder, R.J.2
Hertjer, W.R.3
Mahler, W.4
Benson, R.E.5
Mochel, W.E.6
-
30
-
-
0000012535
-
-
(c) Zhao, H.; Heintz, R. A.; Ouyang, X.; Dunbar, K. R. Chem. Mater. 1999, 11, 736.
-
(1999)
Chem. Mater.
, vol.11
, pp. 736
-
-
Zhao, H.1
Heintz, R.A.2
Ouyang, X.3
Dunbar, K.R.4
-
32
-
-
0000198703
-
-
(e) Siedle, A. R.; Candela, G. A.; Finnegan, T. F. Inorg. Chim. Acta 1979, 35, 125.
-
(1979)
Inorg. Chim. Acta
, vol.35
, pp. 125
-
-
Siedle, A.R.1
Candela, G.A.2
Finnegan, T.F.3
-
33
-
-
0038753785
-
-
(f) Clérac, R.; O'Kane, S.; Cowen, J.; Ouyang, X.; Heintz, R.; Zhao, H.; Bazile, M. J.; Dunbar, K. R. Chem. Mater. 2003, 75, 1840-1850.
-
(2003)
Chem. Mater.
, vol.75
, pp. 1840-1850
-
-
Clérac, R.1
O'Kane, S.2
Cowen, J.3
Ouyang, X.4
Heintz, R.5
Zhao, H.6
Bazile, M.J.7
Dunbar, K.R.8
-
34
-
-
0000288338
-
-
(g) Heintz, R.; Zhao, H.; Ouyang, X.; Grandinetti, G.; Cowan, J.; Dunbar, K. R. Inorg. Chem. 1999, 38, 144-156.
-
(1999)
Inorg. Chem.
, vol.38
, pp. 144-156
-
-
Heintz, R.1
Zhao, H.2
Ouyang, X.3
Grandinetti, G.4
Cowan, J.5
Dunbar, K.R.6
-
35
-
-
5244370033
-
-
Pangborn, A. B.; Giardello, M. A.; Grubbs, R. H.; Rosen, R. K.; Timmers, F. J. Organometallics 1996, 15, 1518.
-
(1996)
Organometallics
, vol.15
, pp. 1518
-
-
Pangborn, A.B.1
Giardello, M.A.2
Grubbs, R.H.3
Rosen, R.K.4
Timmers, F.J.5
-
36
-
-
4744342591
-
-
Liu, X.; Ellis, J. E.; Selby, T. D.; Ghalsasi, P.; Miller, J. S. Inorg. Synth. 2004, 34, 68.
-
(2004)
Inorg. Synth.
, vol.34
, pp. 68
-
-
Liu, X.1
Ellis, J.E.2
Selby, T.D.3
Ghalsasi, P.4
Miller, J.S.5
-
39
-
-
0041838369
-
-
Miller, J. S.; Kravitz, S. H.; Kirschner, S.; Ostrowski, P.; Nigrey, P. J. J. Chem. Educ. 1977, 55, 181; Quant. Chem. Prog. Exch. 1977, 10, 341.
-
(1977)
J. Chem. Educ.
, vol.55
, pp. 181
-
-
Miller, J.S.1
Kravitz, S.H.2
Kirschner, S.3
Ostrowski, P.4
Nigrey, P.J.5
-
40
-
-
0041838368
-
-
Miller, J. S.; Kravitz, S. H.; Kirschner, S.; Ostrowski, P.; Nigrey, P. J. J. Chem. Educ. 1977, 55, 181; Quant. Chem. Prog. Exch. 1977, 10, 341.
-
(1977)
Quant. Chem. Prog. Exch.
, vol.10
, pp. 341
-
-
-
41
-
-
0000189651
-
-
The B3LYP is a combination of the nonlocal three parameters exchange functional [Becke, A. D. J. Chem. Phys. 1993, 98, 5648] and nonlocal LYP correlation functional [Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1998, 37, 785].
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
42
-
-
0345491105
-
-
The B3LYP is a combination of the nonlocal three parameters exchange functional [Becke, A. D. J. Chem. Phys. 1993, 98, 5648] and nonlocal LYP correlation functional [Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1998, 37, 785].
-
(1998)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
43
-
-
36849115659
-
-
(a) 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
-
44
-
-
84986468715
-
-
(b) Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, R. v. R. J. Comput. Chem. 1983, 4, 294.
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, R.V.R.4
-
45
-
-
0141704726
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Montgomery, J. A., Jr.; Vreven, T.; Kudin, K. N.; Burant, J. C.; Millam, J. M.; Iyengar, S. S.; Tomasi, J.; Barone, V.; Mennucci, B.; Cossi, M.; Scalmani, G.; Rega, N.; Petersson, G. A.; Nakatsuji, H.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Klene, M.; Li, X.; Knox, J. E.; Hratchian, H. P.; Cross, J. B.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Ayala, P. Y.; Morokuma, K.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Zakrzewski, V. G.; Dapprich, S.; Daniels, A. D.; Strain, M. C.; Farkas, O.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Ortiz, J. V.; Cui, Q.; Baboul, A. G.; Clifford, S.; Cioslowski, J.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Gonzalez, C.; Pople, J. A. Gaussian 03, revision B.02; Gaussian, Inc.: Pittsburgh, PA, 2003
-
(2003)
Gaussian 03, Revision B.02
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery Jr., J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Adamo, C.36
Jaramillo, J.37
Gomperts, R.38
Stratmann, R.E.39
Yazyev, O.40
Austin, A.J.41
Cammi, R.42
Pomelli, C.43
Ochterski, J.W.44
Ayala, P.Y.45
Morokuma, K.46
Voth, G.A.47
Salvador, P.48
Dannenberg, J.J.49
Zakrzewski, V.G.50
Dapprich, S.51
Daniels, A.D.52
Strain, M.C.53
Farkas, O.54
Malick, D.K.55
Rabuck, A.D.56
Raghavachari, K.57
Foresman, J.B.58
Ortiz, J.V.59
Cui, Q.60
Baboul, A.G.61
Clifford, S.62
Cioslowski, J.63
Stefanov, B.B.64
Liu, G.65
Liashenko, A.66
Piskorz, P.67
Komaromi, I.68
Martin, R.L.69
Fox, D.J.70
Keith, T.71
Al-Laham, M.A.72
Peng, C.Y.73
Nanayakkara, A.74
Challacombe, M.75
Gill, P.M.W.76
Johnson, B.77
Chen, W.78
Wong, M.W.79
Gonzalez, C.80
Pople, J.A.81
more..
-
46
-
-
4744358122
-
-
Miller, J. S.; Zhang, J. H.; Reiff, W. M.; Dixon, D. A.; Preston, L. D.; Reis, A. H.; Gebert, E.; Extine, M.; Troup, J.; Epstein, A. J.; Ward, M. D. J. Phys. Chem. 1987, 91, 4356.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 4356
-
-
Miller, J.S.1
Zhang, J.H.2
Reiff, W.M.3
Dixon, D.A.4
Preston, L.D.5
Reis, A.H.6
Gebert, E.7
Extine, M.8
Troup, J.9
Epstein, A.J.10
Ward, M.D.11
-
49
-
-
0033978048
-
-
Gordon, D. C.; Deakin, L.; Arif, A. M.; Miller, J. S. J. Am. Chem. Soc. 2000, 122, 290.
-
(2000)
J. Am. Chem. Soc.
, vol.122
, pp. 290
-
-
Gordon, D.C.1
Deakin, L.2
Arif, A.M.3
Miller, J.S.4
-
51
-
-
0021201763
-
-
(a) Richmond, T. G.; Shi, Q.-Z.; Trogler, W. C.; Basolo, F. J. Am. Chem. Soc. 1984, 106, 76.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 76
-
-
Richmond, T.G.1
Shi, Q.-Z.2
Trogler, W.C.3
Basolo, F.4
-
52
-
-
0021125948
-
-
(b) Shi, Q.-Z.; Richmond, T. G.; Trogler, W. C.; Basolo, F. J. Am. Chem. Soc. 1984, 106, 71.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 71
-
-
Shi, Q.-Z.1
Richmond, T.G.2
Trogler, W.C.3
Basolo, F.4
-
53
-
-
4243664295
-
-
Mansch, C.; Leo, A.; Taft, R. W. Chem. Rev. 1991, 91, 165.
-
(1991)
Chem. Rev.
, vol.91
, pp. 165
-
-
Mansch, C.1
Leo, A.2
Taft, R.W.3
-
54
-
-
0028493507
-
-
Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. 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
-
55
-
-
33748215960
-
-
Zheludev, A.; Grand, A.; Ressouche, E.; Schweizer, J.; Morin, B. G.; Epstein, A. J.; Dixon, D. A.; Miller, J. S. Angew. Chem. 1994, 33, 1397.
-
(1994)
Angew. Chem.
, vol.33
, pp. 1397
-
-
Zheludev, A.1
Grand, A.2
Ressouche, E.3
Schweizer, J.4
Morin, B.G.5
Epstein, A.J.6
Dixon, D.A.7
Miller, J.S.8
-
56
-
-
4744368871
-
-
note
-
.- (R = Me, i-Pr, Et OPh), the symmetry of the geometry-optimized structure is not preserved for C1, C2, C3, and C4; hence, the reported values are an average over C1′, C2′, C3′, and C4′, respectively, (a) Fixing the symmetry did not correct the problem, (b) The maximum difference between the α and β electron populations was only 0.004 for C1 of R = OPh.
-
-
-
-
57
-
-
0006612925
-
-
Kaplan, M. L.; Haddon, R. C.; Bramwell, F. B.; Wudl, F.; Marshall, J. H.; Cowan, D. O.; Gronowitz, S. J. Phys. Chem. 1980, 84, 427-431.
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 427-431
-
-
Kaplan, M.L.1
Haddon, R.C.2
Bramwell, F.B.3
Wudl, F.4
Marshall, J.H.5
Cowan, D.O.6
Gronowitz, S.7
-
58
-
-
0025916686
-
-
Ballester, L.; Barrai, M. C.; Gutiérrez, A.; Jiménez- Aparicio, R.; Martínez-Muyo, J. M.; Perpiñan, M. F.; Monge, M. A.; Ruiz-Valero, C. J. Chem. Soc., Chem. Commun. 1991, 1396.
-
(1991)
J. Chem. Soc., Chem. Commun.
, pp. 1396
-
-
Ballester, L.1
Barrai, M.C.2
Gutiérrez, A.3
Jiménez-Aparicio, R.4
Martínez-Muyo, J.M.5
Perpiñan, M.F.6
Monge, M.A.7
Ruiz-Valero, C.8
|