-
1
-
-
0021160782
-
-
(a) Kobayashi, M.; Chen, J.; Chung, T.-C.; Moraes, F.; Heeger, A. J.; Wudl, F. Synth. Met. 1984, 9, 77.
-
(1984)
Synth. Met.
, vol.9
, pp. 77
-
-
Kobayashi, M.1
Chen, J.2
Chung, T.-C.3
Moraes, F.4
Heeger, A.J.5
Wudl, F.6
-
2
-
-
0012099968
-
-
and references therein
-
(b) Chung, T.-C.; Kaufman, J. H.; Heeger, A. J.; Wudl, F. Phys. Rev. B 1984, 30, 702, and references therein.
-
(1984)
Phys. Rev. B
, vol.30
, pp. 702
-
-
Chung, T.-C.1
Kaufman, J.H.2
Heeger, A.J.3
Wudl, F.4
-
3
-
-
36549101951
-
-
Assadi, A.; Svensson, C.; Wilander, M.; Inganäs, O. Appl. Phys. Lett. 1988, 53, 195.
-
(1988)
Appl. Phys. Lett.
, vol.53
, pp. 195
-
-
Assadi, A.1
Svensson, C.2
Wilander, M.3
Inganäs, O.4
-
5
-
-
0001108892
-
-
Havinga, E. E.; Mutsaers, C. M. J.; Jenneskens, L. W. Chem. Mater. 1996, 8, 769.
-
(1996)
Chem. Mater.
, vol.8
, pp. 769
-
-
Havinga, E.E.1
Mutsaers, C.M.J.2
Jenneskens, L.W.3
-
6
-
-
0000434536
-
-
(a) Havinga, E. E.; ten Hoeve, W.; Wijnberg, H. Polym. Bull. 1992, 29, 119.
-
(1992)
Polym. Bull.
, vol.29
, pp. 119
-
-
Havinga, E.E.1
Ten Hoeve, W.2
Wijnberg, H.3
-
7
-
-
0027555287
-
-
(b) Havinga, E. E.; ten Hoeve, W.; Wijnberg, H. Synth. Met. 1993, 55-57, 299.
-
(1993)
Synth. Met.
, vol.55-57
, pp. 299
-
-
Havinga, E.E.1
Ten Hoeve, W.2
Wijnberg, H.3
-
9
-
-
33845470225
-
-
(a) Wudl, F.; Kobayashi, M.; Heeger, A. J. J. Org. Chem. 1984, 49, 3382.
-
(1984)
J. Org. Chem.
, vol.49
, pp. 3382
-
-
Wudl, F.1
Kobayashi, M.2
Heeger, A.J.3
-
10
-
-
36549094199
-
-
(b) Kobayashi, M.; Colaneri, N.; Boysel, M.; Wudl, F.; Heeger, A. J. J. Chem. Phys. 1985, 82, 5717.
-
(1985)
J. Chem. Phys.
, vol.82
, pp. 5717
-
-
Kobayashi, M.1
Colaneri, N.2
Boysel, M.3
Wudl, F.4
Heeger, A.J.5
-
11
-
-
0029377717
-
-
van Asselt, R.; Hoogmartens, I.; Vanderzande, D.; Gelan, J.; Froelich, P. E.; Aussems, M.; Aagaard, O.; Schellekens, R. Synth. Met. 1995, 65, 65.
-
(1995)
Synth. Met.
, vol.65
, pp. 65
-
-
Van Asselt, R.1
Hoogmartens, I.2
Vanderzande, D.3
Gelan, J.4
Froelich, P.E.5
Aussems, M.6
Aagaard, O.7
Schellekens, R.8
-
13
-
-
37049081967
-
-
Pommerantz, M.; Chaloner-Gill, B.; Harding, L. O.; Tseng, J. T.; Pommerantz, W. J. J. Chem. Soc., Chem. Commun. 1992, 1672.
-
(1992)
J. Chem. Soc., Chem. Commun.
, pp. 1672
-
-
Pommerantz, M.1
Chaloner-Gill, B.2
Harding, L.O.3
Tseng, J.T.4
Pommerantz, W.J.5
-
14
-
-
4243491226
-
-
Brédas, J. L.; Themans, B.; Fripiat, J. G.; André, J. M.; Chance, R. R. Phys. Rev. B 1984, 29, 6761.
-
(1984)
Phys. Rev. B
, vol.29
, pp. 6761
-
-
Brédas, J.L.1
Themans, B.2
Fripiat, J.G.3
André, J.M.4
Chance, R.R.5
-
16
-
-
0001216583
-
-
Hoogmartens, I.; Adriaensens, P.; Vanderzande, D.; Gelan, J.; Quattrochi, C.; Lazzaroni, R.; Brédas, J. L. Macromolecules 1992, 25, 7347.
-
(1992)
Macromolecules
, vol.25
, pp. 7347
-
-
Hoogmartens, I.1
Adriaensens, P.2
Vanderzande, D.3
Gelan, J.4
Quattrochi, C.5
Lazzaroni, R.6
Brédas, J.L.7
-
18
-
-
0029277455
-
-
Quattrochi, C.; Lazzaroni, R.; Kiebooms, R.; Vanderzande, D.; Gelan, J.; Brédas, J. L. Synth. Met. 1995, 69, 691.
-
(1995)
Synth. Met.
, vol.69
, pp. 691
-
-
Quattrochi, C.1
Lazzaroni, R.2
Kiebooms, R.3
Vanderzande, D.4
Gelan, J.5
Brédas, J.L.6
-
19
-
-
0024065809
-
-
Mintmire, J. W.; White, C. T.; Elert, M. L. Synth. Met. 1988, 25, 109.
-
(1988)
Synth. Met.
, vol.25
, pp. 109
-
-
Mintmire, J.W.1
White, C.T.2
Elert, M.L.3
-
23
-
-
0842341771
-
-
Dewar, M. J. S.; Zoebisch, E. G.; Healey, E. F.; Stewart, J. P. P. J. Am. Chem. Soc. 1985, 107, 3902.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 3902
-
-
Dewar, M.J.S.1
Zoebisch, E.G.2
Healey, E.F.3
Stewart, J.P.P.4
-
24
-
-
0003716563
-
-
Program: QCPE 455, Quantum Chemistry Program Exchange; Indiana University: Bloomington, IN
-
Program: Stewart, J. P. P. MOPAC (V6.0); A General Molecular Orbital Package; QCPE 455, Quantum Chemistry Program Exchange; Indiana University: Bloomington, IN.
-
MOPAC (V6.0); A General Molecular Orbital Package
-
-
Stewart, J.P.P.1
-
25
-
-
36749113580
-
-
Brédas, J. L.; Elsenbaumer, R. L.; Chance, R. R.; Silbey, R. J. Chem. Phys. 1982, 78, 5656.
-
(1982)
J. Chem. Phys.
, vol.78
, pp. 5656
-
-
Brédas, J.L.1
Elsenbaumer, R.L.2
Chance, R.R.3
Silbey, R.4
-
27
-
-
0004940389
-
-
Brocks, G.; Kelly, P. J.; Car, R. Synth. Met. 1993, 55-57, 4343.
-
(1993)
Synth. Met.
, vol.55-57
, pp. 4343
-
-
Brocks, G.1
Kelly, P.J.2
Car, R.3
-
29
-
-
33748609263
-
-
note
-
In ref 23 we used a lower plane wave kinetic energy cutoff of 20 hartrees. For PTh and PITN this suffices to converge the geometry on a scale of 0.02 Å and the band gaps on a scale of 0.1 eV. However, for nitrogen, and especially in order to obtain a well-converged N-N bond length, the cutoff has to be increased to 30 hartrees.
-
-
-
-
30
-
-
0001517010
-
-
Mo, Z.; Lee, K.-B.; Moon, Y. B.; Kobayashi, M.; Heeger, A. J.; Wudl, F. Macromolecules 1985, 18, 1972.
-
(1985)
Macromolecules
, vol.18
, pp. 1972
-
-
Mo, Z.1
Lee, K.-B.2
Moon, Y.B.3
Kobayashi, M.4
Heeger, A.J.5
Wudl, F.6
-
32
-
-
0024679938
-
-
(a) van Bolhuis, F.; Wijnberg, H.; Havinga, E. E.; Meijer, E. F.; Staring, E. G. J. Synth. Met. 1989, 30, 381.
-
(1989)
Synth. Met.
, vol.30
, pp. 381
-
-
Van Bolhuis, F.1
Wijnberg, H.2
Havinga, E.E.3
Meijer, E.F.4
Staring, E.G.J.5
-
34
-
-
0039449337
-
-
Adv. Mater. 1993, 5, 896.
-
(1993)
Adv. Mater.
, vol.5
, pp. 896
-
-
-
35
-
-
0542451287
-
-
(c) Barbarella, G.; Zambianchi, M.; Bongini, A.; Antolini, L. Adv. Mater. 1992, 4, 282.
-
(1992)
Adv. Mater.
, vol.4
, pp. 282
-
-
Barbarella, G.1
Zambianchi, M.2
Bongini, A.3
Antolini, L.4
-
36
-
-
0027678427
-
-
(d) Herrema, J. K.; Wildeman, J.; van Bolhuis, F.; Hadziioannou, G. Synth. Met. 1993, 60, 239.
-
(1993)
Synth. Met.
, vol.60
, pp. 239
-
-
Herrema, J.K.1
Wildeman, J.2
Van Bolhuis, F.3
Hadziioannou, G.4
-
37
-
-
0028510467
-
-
(e) Yassar, A.; Garnier, F.; Deloffre, F.; Horowitz, G.; Ricard, L. Adv. Mater. 1994, 6, 660.
-
(1994)
Adv. Mater.
, vol.6
, pp. 660
-
-
Yassar, A.1
Garnier, F.2
Deloffre, F.3
Horowitz, G.4
Ricard, L.5
-
38
-
-
3043005646
-
-
(f) Horowitz, G.; Bachet, B.; Yassar, A.; Lang, P.; Demanze, F.; Fave, J.-L.; Garnier, F. Chem. Mater. 1995, 7, 1337.
-
(1995)
Chem. Mater.
, vol.7
, pp. 1337
-
-
Horowitz, G.1
Bachet, B.2
Yassar, A.3
Lang, P.4
Demanze, F.5
Fave, J.-L.6
Garnier, F.7
-
41
-
-
0003072227
-
-
(a) Bak, B.; Christensen, D.; Hansen-Nygaard, L.; Rastrup-Andersen, J. J. Mol. Spectrosc. 1961, 7, 58.
-
(1961)
J. Mol. Spectrosc.
, vol.7
, pp. 58
-
-
Bak, B.1
Christensen, D.2
Hansen-Nygaard, L.3
Rastrup-Andersen, J.4
-
42
-
-
0004492656
-
-
(b) Bak, B.; Nygaard, L.; Pedersen, E. J.; Rastrup-Andersen, J. J. Mol. Spectrosc. 1966, 19, 283.
-
(1966)
J. Mol. Spectrosc.
, vol.19
, pp. 283
-
-
Bak, B.1
Nygaard, L.2
Pedersen, E.J.3
Rastrup-Andersen, J.4
-
44
-
-
33748618601
-
-
Unpublished results
-
Tol, A. Unpublished results.
-
-
-
Tol, A.1
-
46
-
-
33748908357
-
-
Godby, R. W.; Schlüter, M.; Sham, L. J. Phys. Rev. B 1988, 37, 10159.
-
(1988)
Phys. Rev. B
, vol.37
, pp. 10159
-
-
Godby, R.W.1
Schlüter, M.2
Sham, L.J.3
-
47
-
-
0001160675
-
-
Baraff, G. A.; Schlüter, M. Phys. Rev. B 1984, 30, 3460. This procedure is often referred to as a scissors operator because one can think of it as cutting the band structure through the band gap and moving the conduction bands rigidly upward.
-
(1984)
Phys. Rev. B
, vol.30
, pp. 3460
-
-
Baraff, G.A.1
Schlüter, M.2
-
53
-
-
0002852185
-
-
Heeger, A. J.; Kivelson, S.; Schrieffer, J. R.; Su, W.-P. Rev. Mod. Phys. 1988, 60, 781.
-
(1988)
Rev. Mod. Phys.
, vol.60
, pp. 781
-
-
Heeger, A.J.1
Kivelson, S.2
Schrieffer, J.R.3
Su, W.-P.4
-
54
-
-
0029276988
-
-
Quattrochi, C.; Lazzaroni, R.; Brédas, J. L.; Kiebooms, R.; Vanderzande, D.; Gelan, J.; van Meervelt, L. J. Phys. Chem. 1995, 99, 3932.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 3932
-
-
Quattrochi, C.1
Lazzaroni, R.2
Brédas, J.L.3
Kiebooms, R.4
Vanderzande, D.5
Gelan, J.6
Van Meervelt, L.7
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