-
1
-
-
80755177506
-
-
2 nd ed. Oxford University Press: Oxford, U.K. Chapter 1
-
Pope, M. and Swenberg, C. E. Electronic processes in organic crystals and polymers, 2 nd ed.; Oxford University Press: Oxford, U.K., 1999; Chapter 1, pp 7-12.
-
(1999)
Electronic Processes in Organic Crystals and Polymers
, pp. 7-12
-
-
Pope, M.1
Swenberg, C.E.2
-
2
-
-
0035896767
-
-
Picciolo, L. C.; Murata, H.; Kafafi, Z. H. Appl. Phys. Lett. 2001, 78, 2378
-
(2001)
Appl. Phys. Lett.
, vol.78
, pp. 2378
-
-
Picciolo, L.C.1
Murata, H.2
Kafafi, Z.H.3
-
3
-
-
2442701630
-
-
Wolak, M. A.; Jang, B. B.; Palilis, L. C.; Kafafi, Z. H. J. Phys. Chem. B 2004, 108, 5492-5499
-
(2004)
J. Phys. Chem. B
, vol.108
, pp. 5492-5499
-
-
Wolak, M.A.1
Jang, B.B.2
Palilis, L.C.3
Kafafi, Z.H.4
-
4
-
-
9744231361
-
-
Xu, Q.; Duong, H. M.; Wudl, F.; Yang, Y. Appl. Phys. Lett. 2004, 85, 3357
-
(2004)
Appl. Phys. Lett.
, vol.85
, pp. 3357
-
-
Xu, Q.1
Duong, H.M.2
Wudl, F.3
Yang, Y.4
-
5
-
-
75149184942
-
-
Lin, C. Y.; Wang, Y. C.; Hsu, S. J.; Lo, C. F.; Diau, E. W. G. J. Phys. Chem. C 2009, 114, 687-693
-
(2009)
J. Phys. Chem. C
, vol.114
, pp. 687-693
-
-
Lin, C.Y.1
Wang, Y.C.2
Hsu, S.J.3
Lo, C.F.4
Diau, E.W.G.5
-
6
-
-
34547436400
-
-
Lloyd, M. T.; Mayer, A. C.; Subramanian, S.; Mourey, D. A.; Herman, D. J.; Bapat, A. V.; Anthony, J. E.; Malliaras, G. G. J. Am. Chem. Soc. 2007, 129, 9144-9149
-
(2007)
J. Am. Chem. Soc.
, vol.129
, pp. 9144-9149
-
-
Lloyd, M.T.1
Mayer, A.C.2
Subramanian, S.3
Mourey, D.A.4
Herman, D.J.5
Bapat, A.V.6
Anthony, J.E.7
Malliaras, G.G.8
-
7
-
-
77955247625
-
-
Jiang, Y.; Okamoto, T.; Becerril, H. A.; Hong, S.; Tang, M. L.; Mayer, A. C.; Parmer, J. E.; McGehee, M. D.; Bao, Z. Macromolecules 2010, 42, 6361 - 6367.
-
(2010)
Macromolecules
, vol.42
, pp. 6361-6367
-
-
Jiang, Y.1
Okamoto, T.2
Becerril, H.A.3
Hong, S.4
Tang, M.L.5
Mayer, A.C.6
Parmer, J.E.7
McGehee, M.D.8
Bao, Z.9
-
8
-
-
79956050505
-
-
Sheraw, C. D.; Zhou, L.; Huang, J. R.; Gundlach, D. J.; Jackson, T. N.; Kane, M. G.; Hill, I. G.; Hammond, M. S.; Campi, J.; Greening, B. K.; Francl, J.; West, J. Appl. Phys. Lett. 2002, 80, 1088-1090
-
(2002)
Appl. Phys. Lett.
, vol.80
, pp. 1088-1090
-
-
Sheraw, C.D.1
Zhou, L.2
Huang, J.R.3
Gundlach, D.J.4
Jackson, T.N.5
Kane, M.G.6
Hill, I.G.7
Hammond, M.S.8
Campi, J.9
Greening, B.K.10
Francl, J.11
West, J.12
-
9
-
-
15744392259
-
-
Merlo, J. A.; Newman, C. R.; Gerlach, C. P.; Kelley, T. W.; Muyres, D. V.; Fritz, S. E.; Toney, M. F.; Frisbie, C. D. J. Am. Chem. Soc. 2005, 127, 3997-4009
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 3997-4009
-
-
Merlo, J.A.1
Newman, C.R.2
Gerlach, C.P.3
Kelley, T.W.4
Muyres, D.V.5
Fritz, S.E.6
Toney, M.F.7
Frisbie, C.D.8
-
10
-
-
43249119439
-
-
Tang, M. L.; Reichardt, A. D.; Miyaki, N.; Stoltenberg, R. M.; Bao, Z. J. Am. Chem. Soc. 2008, 130, 6064-6065
-
(2008)
J. Am. Chem. Soc.
, vol.130
, pp. 6064-6065
-
-
Tang, M.L.1
Reichardt, A.D.2
Miyaki, N.3
Stoltenberg, R.M.4
Bao, Z.5
-
11
-
-
0031382876
-
-
Lin, Y. Y.; Gundlach, D. J.; Nelson, S. F.; Jackson, T. N. Electron Device Lett., IEEE 1997, 18, 606-608
-
(1997)
Electron Device Lett., IEEE
, vol.18
, pp. 606-608
-
-
Lin, Y.Y.1
Gundlach, D.J.2
Nelson, S.F.3
Jackson, T.N.4
-
12
-
-
18744383136
-
-
Klauk, H.; Halik, M.; Zschieschang, U.; Schmid, G.; Radlik, W.; Weber, W. J. Appl. Phys. 2002, 92, 5259
-
(2002)
J. Appl. Phys.
, vol.92
, pp. 5259
-
-
Klauk, H.1
Halik, M.2
Zschieschang, U.3
Schmid, G.4
Radlik, W.5
Weber, W.6
-
13
-
-
79952386388
-
-
Kim, G. H.; Shtein, M.; Pipe, K. P. Appl. Phys. Lett. 2011, 98, 093303
-
(2011)
Appl. Phys. Lett.
, vol.98
, pp. 093303
-
-
Kim, G.H.1
Shtein, M.2
Pipe, K.P.3
-
16
-
-
0033423511
-
-
Kawashima, Y.; Hashimoto, T.; Nakano, H.; Hirao, K. Theor. Chem. Acc. 1999, 102, 49-64
-
(1999)
Theor. Chem. Acc.
, vol.102
, pp. 49-64
-
-
Kawashima, Y.1
Hashimoto, T.2
Nakano, H.3
Hirao, K.4
-
19
-
-
80051636587
-
-
Kuritz, N.; Stein, T.; Baer, R.; Kronik, L. J. Chem. Theory Comput. 2011, 7, 2408-2415
-
(2011)
J. Chem. Theory Comput.
, vol.7
, pp. 2408-2415
-
-
Kuritz, N.1
Stein, T.2
Baer, R.3
Kronik, L.4
-
21
-
-
0000865280
-
-
Bak, K. L.; Koch, H.; Oddershede, J.; Christiansen, O.; Sauer, S. P. A. J. Chem. Phys. 2000, 112, 4173-4185
-
(2000)
J. Chem. Phys.
, vol.112
, pp. 4173-4185
-
-
Bak, K.L.1
Koch, H.2
Oddershede, J.3
Christiansen, O.4
Sauer, S.P.A.5
-
22
-
-
38849133661
-
-
Peach, M. J. G.; Benfield, P.; Helgaker, T.; Tozer, D. J. J. Chem. Phys. 2008, 128, 044118
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 044118
-
-
Peach, M.J.G.1
Benfield, P.2
Helgaker, T.3
Tozer, D.J.4
-
23
-
-
65949098410
-
-
Huang, L.; Rocca, D.; Baroni, S.; Gubbins, K. E.; Nardelli, M. B. J. Chem. Phys. 2009, 130, 194701
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 194701
-
-
Huang, L.1
Rocca, D.2
Baroni, S.3
Gubbins, K.E.4
Nardelli, M.B.5
-
25
-
-
0012459223
-
-
Petersilka, M.; Gossmann, U. J.; Gross, E. K. U. Phys. Rev. Lett. 1996, 76, 1212-1215
-
(1996)
Phys. Rev. Lett.
, vol.76
, pp. 1212-1215
-
-
Petersilka, M.1
Gossmann, U.J.2
Gross, E.K.U.3
-
26
-
-
0001157659
-
-
In; Chong, D. P. World Scientific Publishing: River Edge, NJ, Vol. Chapter 5
-
Casida, M. E. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific Publishing: River Edge, NJ, 1995; Vol. 1, Chapter 5, pp 155-192.
-
(1995)
Recent Advances in Density Functional Methods
, vol.1
, pp. 155-192
-
-
Casida, M.E.1
-
27
-
-
77955309392
-
-
Valiev, M.; Bylaska, E. J.; Govind, N.; Kowalski, K.; Straatsma, T. P.; Van Dam, H. J. J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T. L.; de Jong, W. A. Comput. Phys. Commun. 2010, 181, 1477-1489
-
(2010)
Comput. Phys. Commun.
, vol.181
, pp. 1477-1489
-
-
Valiev, M.1
Bylaska, E.J.2
Govind, N.3
Kowalski, K.4
Straatsma, T.P.5
Van Dam, H.J.J.6
Wang, D.7
Nieplocha, J.8
Apra, E.9
Windus, T.L.10
De Jong, W.A.11
-
29
-
-
80755160719
-
-
MOPAC 6.0. (accessed September 2011)
-
MOPAC 6.0. http://ccl.net/cca/software/MS-WIN95-NT/mopac6/index.shtml (accessed September 2011).
-
-
-
-
30
-
-
77953868107
-
-
Bartell, L. A.; Wall, M. R.; Neuhauser, D. J. Chem. Phys. 2010, 132, 234106
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 234106
-
-
Bartell, L.A.1
Wall, M.R.2
Neuhauser, D.3
-
31
-
-
80052319692
-
-
version 2011; Quantum Theory Project, University of Florida: Gainesville, FL; Department of Chemistry, University of Minnesota: Minneapolis, MN
-
Zerner, M. C. ZINDO-MN, version 2011; Quantum Theory Project, University of Florida: Gainesville, FL; Department of Chemistry, University of Minnesota: Minneapolis, MN, 2011.
-
(2011)
ZINDO-MN
-
-
Zerner, M.C.1
-
34
-
-
77951683726
-
-
Kowalski, K.; Krishnamoorthy, S.; Villa, O.; Hammond, J. R.; Govind, N. J. Chem. Phys. 2010, 132, 154103
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 154103
-
-
Kowalski, K.1
Krishnamoorthy, S.2
Villa, O.3
Hammond, J.R.4
Govind, N.5
-
37
-
-
0000746810
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. J. Chem. Phys. 1996, 105, 1451
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 1451
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
38
-
-
0035280359
-
-
Hirata, S.; Nooijen, M.; Grabowski, I.; Bartlett, R. J. J. Chem. Phys. 2001, 114, 3919
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 3919
-
-
Hirata, S.1
Nooijen, M.2
Grabowski, I.3
Bartlett, R.J.4
-
39
-
-
34547281337
-
-
Shiozaki, T.; Hirao, K.; Hirata, S. J. Chem. Phys. 2007, 126, 244106
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 244106
-
-
Shiozaki, T.1
Hirao, K.2
Hirata, S.3
-
43
-
-
33748967915
-
-
Włoch, M.; Lodriguito, M. D.; Piecuch, P.; Gour, J. R. Mol. Phys. 2006, 104, 2991
-
(2006)
Mol. Phys.
, vol.104
, pp. 2991
-
-
Włoch, M.1
Lodriguito, M.D.2
Piecuch, P.3
Gour, J.R.4
-
44
-
-
70349694531
-
-
Piecuch, P.; Gour, J. R.; Włoch, M. Int. J. Quantum Chem. 2009, 109, 3268-3304
-
(2009)
Int. J. Quantum Chem.
, vol.109
, pp. 3268-3304
-
-
Piecuch, P.1
Gour, J.R.2
Włoch, M.3
-
46
-
-
0006244148
-
-
Raghavachari, K.; Trucks, G. W.; Pople, J. A.; Head-Gordon, M. Chem. Phys. Lett. 1989, 157, 479-483
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479-483
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
48
-
-
84987098056
-
-
Anderson, W. P.; Cundari, T. R.; Zerner, M. C. Int. J. Quantum Chem. 1991, 39, 31-45
-
(1991)
Int. J. Quantum Chem.
, vol.39
, pp. 31-45
-
-
Anderson, W.P.1
Cundari, T.R.2
Zerner, M.C.3
-
49
-
-
33751157732
-
-
Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.; Frisch, M. J. J. Phys. Chem. 1994, 98, 11623-11627
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623-11627
-
-
Stephens, P.J.1
Devlin, F.J.2
Chabalowski, C.F.3
Frisch, M.J.4
-
50
-
-
3142771297
-
-
Yanai, T.; Tew, D. P.; Handy, N. C. Chem. Phys. Lett. 2004, 393, 51-57
-
(2004)
Chem. Phys. Lett.
, vol.393
, pp. 51-57
-
-
Yanai, T.1
Tew, D.P.2
Handy, N.C.3
-
51
-
-
59949101798
-
-
Rohrdanz, M. A.; Martins, K. M.; Herbert, J. M. J. Chem. Phys. 2009, 130, 054112
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 054112
-
-
Rohrdanz, M.A.1
Martins, K.M.2
Herbert, J.M.3
-
53
-
-
36549102428
-
-
Lambert, W. R.; Felker, P. M.; Syage, J. A.; Zewail, A. H. J. Chem. Phys. 1984, 81, 2195
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 2195
-
-
Lambert, W.R.1
Felker, P.M.2
Syage, J.A.3
Zewail, A.H.4
-
56
-
-
10844225583
-
-
Christiansen, O.; Koch, H.; Jørgensen, P. Chem. Phys. Lett. 1995, 243, 409-418
-
(1995)
Chem. Phys. Lett.
, vol.243
, pp. 409-418
-
-
Christiansen, O.1
Koch, H.2
Jørgensen, P.3
-
57
-
-
73449105349
-
-
Baer, R.; Livshits, E.; Salzner, U. Annu. Rev. Phys. Chem. 2010, 61, 85-109
-
(2010)
Annu. Rev. Phys. Chem.
, vol.61
, pp. 85-109
-
-
Baer, R.1
Livshits, E.2
Salzner, U.3
-
59
-
-
80755150391
-
-
The Blender Foundation: Amsterdam, The Netherlands
-
Blender; The Blender Foundation: Amsterdam, The Netherlands, 2010.
-
(2010)
Blender
-
-
|