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Items: 1 to 20 of 300

1.

Theoretical investigation of electronic structure and charge transport property of 9,10-distyrylanthracene (DSA) derivatives with high solid-state luminescent efficiency.

Wang L, Xu B, Zhang J, Dong Y, Wen S, Zhang H, Tian W.

Phys Chem Chem Phys. 2013 Feb 21;15(7):2449-58. doi: 10.1039/c2cp41876b. Epub 2013 Jan 15.

PMID:
23319079
2.

A theoretical study of the electronic structure and charge transport properties of thieno[2,3-b]benzothiophene based derivatives.

Wang L, Li T, Shen Y, Song Y.

Phys Chem Chem Phys. 2016 Mar 28;18(12):8401-11. doi: 10.1039/c5cp07879b.

PMID:
26931147
3.
4.

Structures, electronic states, photoluminescence, and carrier transport properties of 1,1-disubstituted 2,3,4,5-tetraphenylsiloles.

Yu G, Yin S, Liu Y, Chen J, Xu X, Sun X, Ma D, Zhan X, Peng Q, Shuai Z, Tang B, Zhu D, Fang W, Luo Y.

J Am Chem Soc. 2005 May 4;127(17):6335-46.

PMID:
15853340
5.

Density functional theory study on electron and hole transport properties of organic pentacene derivatives with electron-withdrawing substituent.

Chai S, Wen SH, Huang JD, Han KL.

J Comput Chem. 2011 Nov 30;32(15):3218-25. doi: 10.1002/jcc.21904. Epub 2011 Aug 11.

PMID:
21837726
6.

Influence of the alkyl and alkoxy side chains on the electronic structure and charge-transport properties of polythiophene derivatives.

García G, Timón V, Hernández-Laguna A, Navarro A, Fernández-Gómez M.

Phys Chem Chem Phys. 2011 Jun 7;13(21):10091-9. doi: 10.1039/c1cp20116f. Epub 2011 Apr 26.

PMID:
21519632
7.

n-Channel semiconductor materials design for organic complementary circuits.

Usta H, Facchetti A, Marks TJ.

Acc Chem Res. 2011 Jul 19;44(7):501-10. doi: 10.1021/ar200006r. Epub 2011 May 26.

PMID:
21615105
8.

Bithiophene-imide-based polymeric semiconductors for field-effect transistors: synthesis, structure-property correlations, charge carrier polarity, and device stability.

Guo X, Ortiz RP, Zheng Y, Hu Y, Noh YY, Baeg KJ, Facchetti A, Marks TJ.

J Am Chem Soc. 2011 Feb 9;133(5):1405-18. doi: 10.1021/ja107678m. Epub 2011 Jan 5.

PMID:
21207965
9.

Effect of donor strength of extended alkyl auxiliary groups on optoelectronic and charge transport properties of novel naphtha[2,1-b:6,5-b']difuran derivatives: simple yet effective strategy.

Chaudhry AR, Ahmed R, Irfan A, Shaari A, Isa AR, Muhammad S, Al-Sehemi AG.

J Mol Model. 2015 Aug;21(8):199. doi: 10.1007/s00894-015-2743-9. Epub 2015 Jul 16.

PMID:
26177706
10.

Theoretical study on the charge transport property of Pt(CN(t)Bu)2(CN)2 nanowires induced by Pt···Pt interactions.

Zhao S, Yu F, Yang G, Zhang H, Su Z, Wang Y.

Dalton Trans. 2012 Jun 28;41(24):7272-7. doi: 10.1039/c2dt00009a. Epub 2012 May 9.

PMID:
22569520
11.

Theoretical characterization of a typical hole/exciton-blocking material bathocuproine and its analogues.

Gao H, Qin C, Zhang H, Wu S, Su ZM, Wang Y.

J Phys Chem A. 2008 Sep 25;112(38):9097-103. doi: 10.1021/jp804308e. Epub 2008 Aug 27.

PMID:
18729426
12.

Comprehensive approach to intrinsic charge carrier mobility in conjugated organic molecules, macromolecules, and supramolecular architectures.

Saeki A, Koizumi Y, Aida T, Seki S.

Acc Chem Res. 2012 Aug 21;45(8):1193-202. doi: 10.1021/ar200283b. Epub 2012 Jun 7.

PMID:
22676381
13.

First-principles investigation of the electronic and conducting properties of oligothienoacenes and their derivatives.

Huang JD, Wen SH, Han KL.

Chem Asian J. 2012 May;7(5):1032-40. doi: 10.1002/asia.201100904. Epub 2012 Feb 15.

PMID:
22337617
14.
15.

Electronic structure and microscopic charge-transport properties of a new-type diketopyrrolopyrrole-based material.

Huang JD, Li WL, Wen SH, Dong B.

J Comput Chem. 2015 Apr 15;36(10):695-706. doi: 10.1002/jcc.23825. Epub 2015 Feb 23.

PMID:
25706355
16.

Hole transport in triphenylamine based OLED devices: from theoretical modeling to properties prediction.

Cias P, Slugovc C, Gescheidt G.

J Phys Chem A. 2011 Dec 22;115(50):14519-25. doi: 10.1021/jp207585j. Epub 2011 Nov 22.

PMID:
22060634
17.

The modulation of electronic and optical properties of OXD-X through introduction of the electron-withdrawing groups: a DFT study.

Liu LL, Pan XM, Zheng W, Cui LL, Yang GC, Su ZM, Wang RS.

J Mol Graph Model. 2010 Jan;28(5):427-34. doi: 10.1016/j.jmgm.2009.10.002. Epub 2009 Oct 20.

PMID:
19910229
18.

Theoretical study on charge carrier mobilities of tetrathiafulvalene derivatives.

Li HX, Zheng RH, Shi Q.

Phys Chem Chem Phys. 2011 Apr 7;13(13):5642-50. doi: 10.1039/c0cp01016b. Epub 2011 Feb 8.

PMID:
21305087
19.

Theoretical study on electron structure and charge transport properties of tetraazapentacene derivatives.

Tang XD.

J Mol Graph Model. 2017 Sep;76:535-542. doi: 10.1016/j.jmgm.2017.06.017. Epub 2017 Jun 23.

PMID:
28811154
20.

A theoretical, spectroscopic, and photophysical study of 2,7-carbazolenevinylene-based conjugated derivatives.

Belletête M, Morin JF, Leclerc M, Durocher G.

J Phys Chem A. 2005 Aug 11;109(31):6953-9.

PMID:
16834054

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