-
2
-
-
0001771093
-
-
0034-4885 10.1088/0034-4885/53/1/002, ();, Chem. Soc. Rev. 0306-0012 10.1039/b506619k 35, 83 (2006);, Curr. Opin. Colloid Interface Sci. 1359-0294 10.1016/S1359-0294(02)00085-7 7, 343 (2002);, Angew. Chem., Int. Ed. 1433-7851 10.1002/anie.200604203 46, 4832 (2007).
-
S. Chandrasekhar and G. S. Ranganath, Rep. Prog. Phys. 0034-4885 10.1088/0034-4885/53/1/002 53, 57 (1990); S. Kumar, Chem. Soc. Rev. 0306-0012 10.1039/b506619k 35, 83 (2006); R. J. Bushby and O. R. Lozman, Curr. Opin. Colloid Interface Sci. 1359-0294 10.1016/S1359-0294(02)00085-7 7, 343 (2002); S. Laschat, A. Baro, N. Steinke, F. Giesselmann, C. Hgele, G. Scalia, R. Judele, E. Kapatsina, S. Sauer, A. Schreivogel, and M. Tosoni, Angew. Chem., Int. Ed. 1433-7851 10.1002/anie.200604203 46, 4832 (2007).
-
(1990)
Rep. Prog. Phys.
, vol.53
, pp. 57
-
-
Chandrasekhar, S.1
Ranganath, G.S.2
Kumar, S.3
Bushby, R.J.4
Lozman, O.R.5
Laschat, S.6
Baro, A.7
Steinke, N.8
Giesselmann, F.9
Hgele, C.10
Scalia, G.11
Judele, R.12
Kapatsina, E.13
Sauer, S.14
Schreivogel, A.15
Tosoni, M.16
-
3
-
-
0042203362
-
-
0935-9648 10.1002/(SICI)1521-4095(199912)11:17<1469::AID- ADMA1469>3.0.CO;2-K.
-
A. M. van de Craats, J. M. Warman, A. Fechtenkotter, J. D. Brand, M. A. Harbison, and K. Müller, Adv. Mater. (Weinheim, Ger.) 0935-9648 10.1002/(SICI)1521-4095(199912)11:17<1469::AID-ADMA1469>3.0.CO;2-K 11, 1469 (1999).
-
(1999)
Adv. Mater. (Weinheim, Ger.)
, vol.11
, pp. 1469
-
-
Van De Craats, A.M.1
Warman, J.M.2
Fechtenkotter, A.3
Brand, J.D.4
Harbison, M.A.5
Müller, K.6
-
4
-
-
12144288478
-
-
0002-7863 10.1021/ja0390956.
-
V. Lemaur, D. A. da Silva Filho, V. Coropceanu, M. Lehmann, Y. Geerts, J. Piris, M. G. Debije, A. M. van de Craats, K. Senthilkumar, L. D. A. Siebbeles, J. M. Warman, J. Bŕdas, and J. Cornil, J. Am. Chem. Soc. 0002-7863 10.1021/ja0390956 126, 3271 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 3271
-
-
Lemaur, V.1
Da Silva Filho, D.A.2
Coropceanu, V.3
Lehmann, M.4
Geerts, Y.5
Piris, J.6
Debije, M.G.7
Van De Craats, A.M.8
Senthilkumar, K.9
Siebbeles, L.D.A.10
Warman, J.M.11
Bŕdas, J.12
Cornil, J.13
-
5
-
-
1842688149
-
-
0002-7863 10.1021/ja0395994.
-
M. G. Debije, J. Piris, M. P. de Haas, J. M. Warman, Ž. Tomović, C. D. Simpson, M. D. Watson, and K. Müllen, J. Am. Chem. Soc. 0002-7863 10.1021/ja0395994 126, 4641 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 4641
-
-
Debije, M.G.1
Piris, J.2
De Haas, M.P.3
Warman, J.M.4
Tomović, Ž.5
Simpson, C.D.6
Watson, M.D.7
Müllen, K.8
-
6
-
-
4644361126
-
-
0002-7863 10.1021/ja048669j.
-
X. Crispin, J. Cornil, R. Friedlein, K. K. Okudaira, V. Lemaur, A. Crispin, G. Kestemont, M. Lehmann, M. Fahlman, R. Lazzaroni, Y. Geerts, G. Wendin, N. Ueno, J. Bŕdas, and W. R. Salaneck, J. Am. Chem. Soc. 0002-7863 10.1021/ja048669j 126, 11889 (2004).
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 11889
-
-
Crispin, X.1
Cornil, J.2
Friedlein, R.3
Okudaira, K.K.4
Lemaur, V.5
Crispin, A.6
Kestemont, G.7
Lehmann, M.8
Fahlman, M.9
Lazzaroni, R.10
Geerts, Y.11
Wendin, G.12
Ueno, N.13
Bŕdas, J.14
Salaneck, W.R.15
-
7
-
-
28144450194
-
-
0002-7863 10.1021/ja054694t.
-
I. O. Shklyarevskiy, P. Jonkheijm, N. Stutzmann, D. Wasserberg, H. J. Wondergem, P. C. M. Christianen, A. P. H. J. Schenning, D. M. de Leeuw, Z. Tomović, J. Wu, K. Mullen, and J. C. Maan, J. Am. Chem. Soc. 0002-7863 10.1021/ja054694t 127, 16233 (2005).
-
(2005)
J. Am. Chem. Soc.
, vol.127
, pp. 16233
-
-
Shklyarevskiy, I.O.1
Jonkheijm, P.2
Stutzmann, N.3
Wasserberg, D.4
Wondergem, H.J.5
Christianen, P.C.M.6
Schenning, A.P.H.J.7
De Leeuw, D.M.8
Tomović, Z.9
Wu, J.10
Mullen, K.11
Maan, J.C.12
-
8
-
-
34547363828
-
-
0031-9007 10.1103/PhysRevLett.98.227402.
-
J. Kirkpatrick, V. Marcon, J. Nelson, K. Kremer, and D. Andrienko, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.98.227402 98, 227402 (2007).
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 227402
-
-
Kirkpatrick, J.1
Marcon, V.2
Nelson, J.3
Kremer, K.4
Andrienko, D.5
-
9
-
-
0033247269
-
-
0010-7514 10.1080/001075199181431, ();, J. Mater. Chem. 0959-9428 10.1039/a903005k 9, 2081 (1999);, Science 0036-8075 10.1126/science.293.5532. 1119 293, 1119 (2001);, Curr. Opin. Solid State Mater. Sci. 1359-0286 10.1016/S1359-0286(03)00007-X 6, 569 (2002);, J. Mater. Chem. 0959-9428 10.1039/b312789c 14, 494 (2004).
-
S. Chandrasekhar and K. S. Prasad, Contemp. Phys. 0010-7514 10.1080/001075199181431 40, 237 (1999); N. Boden, R. J. Bushby, J. Clements, and B. Movaghar, J. Mater. Chem. 0959-9428 10.1039/a903005k 9, 2081 (1999); L. Schmidt-Mende, A. Fechetenkotter, K. Mullen, E. Moons, R. H. Friend, and J. D. MacKenzie, Science 0036-8075 10.1126/science.293.5532.1119 293, 1119 (2001); R. J. Bushby and O. R. Lowman, Curr. Opin. Solid State Mater. Sci. 1359-0286 10.1016/S1359-0286(03)00007-X 6, 569 (2002); C. D. Simpson, J. Wu, M. D. Watson, and K. Müllen, J. Mater. Chem. 0959-9428 10.1039/b312789c 14, 494 (2004).
-
(1999)
Contemp. Phys.
, vol.40
, pp. 237
-
-
Chandrasekhar, S.1
Prasad, K.S.2
Boden, N.3
Bushby, R.J.4
Clements, J.5
Movaghar, B.6
Schmidt-Mende, L.7
Fechetenkotter, A.8
Mullen, K.9
Moons, E.10
Friend, R.H.11
MacKenzie, J.D.12
Bushby, R.J.13
Lowman, O.R.14
Simpson, C.D.15
Wu, J.16
Watson, M.D.17
Müllen, K.18
-
10
-
-
0020089150
-
-
1742-6588
-
M. Cotrait, P. Marsau, M. Pesquer, and V. Volpihac, J. Phys. (Paris) 43, 355 (1982). 1742-6588
-
(1982)
J. Phys. (Paris)
, vol.43
, pp. 355
-
-
Cotrait, M.1
Marsau, P.2
Pesquer, M.3
Volpihac, V.4
-
11
-
-
0242669319
-
-
0002-7863 10.1021/ja029227f.
-
F. M. Mulder, J. Stride, S. J. Picken, P. H. J. Kouwer, M. P. de Haas, L. D. A. Siebbeles, and G. J. Kearley, J. Am. Chem. Soc. 0002-7863 10.1021/ja029227f 125, 3860 (2003).
-
(2003)
J. Am. Chem. Soc.
, vol.125
, pp. 3860
-
-
Mulder, F.M.1
Stride, J.2
Picken, S.J.3
Kouwer, P.H.J.4
De Haas, M.P.5
Siebbeles, L.D.A.6
Kearley, G.J.7
-
12
-
-
34247633092
-
-
1432-881X 10.1007/s00214-006-0229-7.
-
L. Muccioli, R. Berardi, S. Orlandi, M. Ricci, and C. Zannoni, Theor. Chem. Acc. 1432-881X 10.1007/s00214-006-0229-7 117, 1085 (2007).
-
(2007)
Theor. Chem. Acc.
, vol.117
, pp. 1085
-
-
Muccioli, L.1
Berardi, R.2
Orlandi, S.3
Ricci, M.4
Zannoni, C.5
-
13
-
-
0035781082
-
-
0009-2665 10.1021/cr990125q.
-
L. Brunsveld, B. J. B. Folmer, E. W. Meijer, and R. P. Sijbesma, Chem. Rev. (Washington, D.C.) 0009-2665 10.1021/cr990125q 101, 4071 (2001).
-
(2001)
Chem. Rev. (Washington, D.C.)
, vol.101
, pp. 4071
-
-
Brunsveld, L.1
Folmer, B.J.B.2
Meijer, E.W.3
Sijbesma, R.P.4
-
14
-
-
4243606192
-
-
0031-9007 10.1103/PhysRevLett.55.2471.
-
R. Car and M. Parrinello, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett. 55.2471 55, 2471 (1985).
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2471
-
-
Car, R.1
Parrinello, M.2
-
15
-
-
44949268470
-
-
0379-6779;, J. Am. Chem. Soc. 0002-7863 10.1021/ja9735618 120, 4832 (1998);, Phys. Rev. B 0163-1829 10.1103/PhysRevB.66.165110 66, 165110 (2002);, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69.115213 69, 115213 (2004);, Phys. Rev. B 0163-1829 10.1103/PhysRevB.74.033103 74, 033103 (2006).
-
G. Brocks, P. J. Kelly, and R. Car, Synth. Met. 57, 4243 (1993) 0379-6779; R. Colle and A. Curioni, J. Am. Chem. Soc. 0002-7863 10.1021/ja9735618 120, 4832 (1998); C. Cavazzoni, R. Colle, R. Farchioni, and G. Grosso, Phys. Rev. B 0163-1829 10.1103/PhysRevB.66.165110 66, 165110 (2002); C. Cavazzoni, R. Colle, R. Farchioni, and G. Grosso, Phys. Rev. B 0163-1829 10.1103/PhysRevB.69.115213 69, 115213 (2004); C. Cavazzoni, R. Colle, R. Farchioni, and G. Grosso, Phys. Rev. B 0163-1829 10.1103/PhysRevB.74.033103 74, 033103 (2006).
-
(1993)
Synth. Met.
, vol.57
, pp. 4243
-
-
Brocks, G.1
Kelly, P.J.2
Car, R.3
Colle, R.4
Curioni, A.5
Cavazzoni, C.6
Colle, R.7
Farchioni, R.8
Grosso, G.9
Cavazzoni, C.10
Colle, R.11
Farchioni, R.12
Grosso, G.13
Cavazzoni, C.14
Colle, R.15
Farchioni, R.16
Grosso, G.17
-
16
-
-
10644250257
-
-
Phys. Rev. 0096-8250 10.1103/PhysRev.136.B864, ();, Phys. Rev. 0096-8250 10.1103/PhysRev.140.A1133 140, A1133 (1965);, (Oxford University Press, New York, 1989).
-
P. Hohenberg and W. Kohn, Phys. Rev. 0096-8250 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 0096-8250 10.1103/PhysRev.140.A1133 140, A1133 (1965); R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).
-
(1964)
Density-Functional Theory of Atoms and Molecules
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
Kohn, W.3
Sham, L.J.4
Parr, R.G.5
Yang, W.6
-
18
-
-
33751156424
-
-
0022-3654 10.1021/j100003a025.
-
D. Markovitsi, A. Germain, P. Millie, P. Lecuyer, L. K. Gallos, P. Argyrakis, H. Bengs, and H. Ringsdorf, J. Phys. Chem. 0022-3654 10.1021/j100003a025 99, 1005 (1995).
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1005
-
-
Markovitsi, D.1
Germain, A.2
Millie, P.3
Lecuyer, P.4
Gallos, L.K.5
Argyrakis, P.6
Bengs, H.7
Ringsdorf, H.8
-
20
-
-
0000019492
-
-
Theor. Chim. Acta 0040-5744 10.1007/BF01192227, ();, in, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1991), Vol. 2, 313-365.
-
W. D. Edwards and M. C. Zerner, Theor. Chim. Acta 0040-5744 10.1007/BF01192227 72, 347 (1987); M. C. Zerner, in Reviews in Computational Chemistry, edited by, K. B. Lipkowitz, and, D. B. Boyd, (VCH, New York, 1991), Vol. 2, pp. 313-365.
-
(1987)
Reviews in Computational Chemistry
, vol.72
, pp. 347
-
-
Edwards, W.D.1
Zerner, M.C.2
Zerner, M.C.3
-
23
-
-
55849128990
-
-
QUANTUM-ESPRESSO, open-source package for research in electronic, structure, simulation, and optimization, Version 3.2 (see).
-
QUANTUM-ESPRESSO, open-source package for research in electronic, structure, simulation, and optimization, Version 3.2 (see http://www.quantum- espresso.org).
-
-
-
-
24
-
-
33645426115
-
-
0163-1829 10.1103/PhysRevB.43.1993.
-
N. Troullier and J. L. Martins, Phys. Rev. B 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
25
-
-
4243553426
-
-
1050-2947 10.1103/PhysRevA.38.3098.
-
A. D. Becke, Phys. Rev. A 1050-2947 10.1103/PhysRevA.38.3098 38, 3098 (1988).
-
(1988)
Phys. Rev. A
, vol.38
, pp. 3098
-
-
Becke, A.D.1
-
26
-
-
0345491105
-
-
0163-1829 10.1103/PhysRevB.37.785.
-
C. Lee, W. Yag, and R. G. Parr, Phys. Rev. B 0163-1829 10.1103/PhysRevB.37.785 37, 785 (1988).
-
(1988)
Phys. Rev. B
, vol.37
, pp. 785
-
-
Lee, C.1
Yag, W.2
Parr, R.G.3
-
27
-
-
0001832580
-
-
0302-072X 10.1051/jphyslet:0197900400408100.
-
A. M. Levelut, J. Phys. (France) Lett. 0302-072X 10.1051/jphyslet: 0197900400408100 40, 81 (1979).
-
(1979)
J. Phys. (France) Lett.
, vol.40
, pp. 81
-
-
Levelut, A.M.1
-
28
-
-
4243307304
-
-
0031-9007 10.1103/PhysRevLett.82.1959.
-
M. Rohlfing and S. G. Louie, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.82.1959 82, 1959 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.82
, pp. 1959
-
-
Rohlfing, M.1
Louie, S.G.2
-
29
-
-
0037141315
-
-
0031-9007 10.1103/PhysRevLett.88.206403.
-
A. Ruini, M. J. Caldas, G. Bussi, and E. Molinari, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.88.206403 88, 206403 (2002).
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 206403
-
-
Ruini, A.1
Caldas, M.J.2
Bussi, G.3
Molinari, E.4
-
30
-
-
1542388160
-
-
0034-4885 10.1088/0034-4885/61/3/002, (), and references therein.
-
F. Aryasetiawan and O. Gunnarsson, Rep. Prog. Phys. 0034-4885 10.1088/0034-4885/61/3/002 61, 237 (1998), and references therein.
-
(1998)
Rep. Prog. Phys.
, vol.61
, pp. 237
-
-
Aryasetiawan, F.1
Gunnarsson, O.2
-
31
-
-
0036057017
-
-
0034-6861 10.1103/RevModPhys.74.601, (), and references therein.
-
G. Onida, L. Reining, and A. Rubio, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.74.601 74, 601 (2002), and references therein.
-
(2002)
Rev. Mod. Phys.
, vol.74
, pp. 601
-
-
Onida, G.1
Reining, L.2
Rubio, A.3
-
33
-
-
34047198616
-
-
1089-5647 10.1021/jp067847n.
-
R. Colle, P. Parruccini, A. Benassi, and C. Cavazzoni, J. Phys. Chem. B 1089-5647 10.1021/jp067847n 111, 2800 (2007).
-
(2007)
J. Phys. Chem. B
, vol.111
, pp. 2800
-
-
Colle, R.1
Parruccini, P.2
Benassi, A.3
Cavazzoni, C.4
-
34
-
-
55849100130
-
Structural, electron, and optical properties of poly(3-hexylthiophene)
-
(submitted). 0163-1829
-
C. Cavazzoni, R. Colle, R. Farchioni, and G. Grosso, " Structural, electron, and optical properties of poly(3-hexylthiophene).," Phys. Rev. B (submitted). 0163-1829
-
Phys. Rev. B
-
-
Cavazzoni, C.1
Colle, R.2
Farchioni, R.3
Grosso, G.4
-
35
-
-
0001666291
-
-
0163-1829 10.1103/PhysRevB.33.7017.
-
S. Baroni and R. Resta, Phys. Rev. B 0163-1829 10.1103/PhysRevB.33.7017 33, 7017 (1986).
-
(1986)
Phys. Rev. B
, vol.33
, pp. 7017
-
-
Baroni, S.1
Resta, R.2
-
36
-
-
33846338181
-
-
0031-9007 10.1103/PhysRevLett.98.036807.
-
M. Bruno, M. Palummo, A. Marini, R. Del Sole, and S. Ossicini, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.98.036807 98, 036807 (2007).
-
(2007)
Phys. Rev. Lett.
, vol.98
, pp. 036807
-
-
Bruno, M.1
Palummo, M.2
Marini, A.3
Del Sole, R.4
Ossicini, S.5
-
37
-
-
55849149522
-
-
The calculations with the ZINDO method have been performed with the GAUSSIAN 03 package:, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT.
-
The calculations with the ZINDO method have been performed with the GAUSSIAN 03 package: M. J. Frisch, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
-
-
Frisch, M.J.1
-
39
-
-
0031221461
-
-
0031-9007 10.1103/PhysRevLett.79.2530.
-
S. Datta, W. Tian, S. Hong, R. Reifenberger, J. I. Henderson, and C. P. Kubiak, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.79.2530 79, 2530 (1997).
-
(1997)
Phys. Rev. Lett.
, vol.79
, pp. 2530
-
-
Datta, S.1
Tian, W.2
Hong, S.3
Reifenberger, R.4
Henderson, J.I.5
Kubiak, C.P.6
-
40
-
-
84942037038
-
-
in, edited by H. Morkov (Academic, New York).
-
F. Zahid, M. Paulsson, and S. Datta, in Advanced Semiconductor and Organic Nano-Techniques, edited by, H. Morkov, (Academic, New York, 2003).
-
(2003)
Advanced Semiconductor and Organic Nano-Techniques
-
-
Zahid, F.1
Paulsson, M.2
Datta, S.3
-
41
-
-
0004419840
-
-
0021-9606 10.1063/1.476841.
-
W. Tian, S. Datta, S. Hong, R. Riefenberger, J. I. Henderson, and C. P. Kubiak, J. Chem. Phys. 0021-9606 10.1063/1.476841 109, 2874 (1998).
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 2874
-
-
Tian, W.1
Datta, S.2
Hong, S.3
Riefenberger, R.4
Henderson, J.I.5
Kubiak, C.P.6
-
42
-
-
0346927956
-
-
0021-9606 10.1063/1.1734456.
-
R. Hoffman, J. Chem. Phys. 0021-9606 10.1063/1.1734456 39, 1937 (1963).
-
(1963)
J. Chem. Phys.
, vol.39
, pp. 1937
-
-
Hoffman, R.1
|