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Results: 1 to 20 of 95

1.

Electronic properties of spiro compounds for organic electronics.

Mahns B, Roth F, Grobosch M, Lindner S, Knupfer M, Saragi TP, Reichert T, Salbeck J, Hahn T.

J Chem Phys. 2012 Mar 28;136(12):124702. doi: 10.1063/1.3698280.

PMID:
22462883
[PubMed]
2.

The electronic properties of superatom states of hollow molecules.

Feng M, Zhao J, Huang T, Zhu X, Petek H.

Acc Chem Res. 2011 May 17;44(5):360-8. doi: 10.1021/ar1001445. Epub 2011 Mar 17.

PMID:
21413734
[PubMed]
3.

Theoretical study on structural, electronic, and optical properties of ambipolar diphenylamino end-capped oligofluorenylthiophenes and fluoroarene-thiophene as light-emitting materials.

Ran XQ, Feng JK, Liu YL, Ren AM, Zou LY, Sun CC.

J Phys Chem A. 2008 Oct 30;112(43):10904-11. doi: 10.1021/jp805553e. Epub 2008 Oct 4.

PMID:
18834103
[PubMed]
4.

Theoretical studies of the structural, electronic, and optical properties of phosphafluorenes.

Yin J, Chen RF, Zhang SL, Ling QD, Huang W.

J Phys Chem A. 2010 Mar 18;114(10):3655-67. doi: 10.1021/jp911624v.

PMID:
20148545
[PubMed]
5.

Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods.

Kornobis K, Kumar N, Wong BM, Lodowski P, Jaworska M, Andruniów T, Ruud K, Kozlowski PM.

J Phys Chem A. 2011 Feb 24;115(7):1280-92. doi: 10.1021/jp110914y. Epub 2011 Jan 31.

PMID:
21280654
[PubMed - indexed for MEDLINE]
6.

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
[PubMed - indexed for MEDLINE]
7.

Theoretical study on photophysical properties of ambipolar spirobifluorene derivatives as efficient blue-light-emitting materials.

Ran XQ, Feng JK, Ren AM, Li WC, Zou LY, Sun CC.

J Phys Chem A. 2009 Jul 9;113(27):7933-9. doi: 10.1021/jp903511r.

PMID:
19507831
[PubMed]
8.

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
[PubMed]
9.

Prediction of remarkable ambipolar charge-transport characteristics in organic mixed-stack charge-transfer crystals.

Zhu L, Yi Y, Li Y, Kim EG, Coropceanu V, Brédas JL.

J Am Chem Soc. 2012 Feb 1;134(4):2340-7. doi: 10.1021/ja210284s. Epub 2012 Jan 18.

PMID:
22239171
[PubMed - indexed for MEDLINE]
10.

Theoretical analysis of the electronic properties of the sex pheromone and its analogue derivatives in the female processionary moth Thaumetopoea pytiocampa.

Chamorro ER, Sequeira AF, Zalazar MF, Peruchena NM.

Bioorg Med Chem. 2008 Sep 15;16(18):8535-45. doi: 10.1016/j.bmc.2008.08.008. Epub 2008 Aug 7.

PMID:
18752964
[PubMed - indexed for MEDLINE]
11.

Density functional theory study of the optical and electronic properties of oligomers based on phenyl-ethynyl units linked to triazole, thiadiazole, and oxadiazole rings to be used in molecular electronics.

Garzón A, Granadino-Roldán JM, Moral M, García G, Fernández-Liencres MP, Navarro A, Peña-Ruiz T, Fernández-Gómez M.

J Chem Phys. 2010 Feb 14;132(6):064901. doi: 10.1063/1.3309585.

PMID:
20151752
[PubMed]
12.

Mapping the frontier electronic structures of triphenylamine based organic dyes at TiO2 interfaces.

Hahlin M, Odelius M, Magnuson M, Johansson EM, Plogmaker S, Hagberg DP, Sun L, Siegbahn H, Rensmo H.

Phys Chem Chem Phys. 2011 Feb 28;13(8):3534-46. doi: 10.1039/c0cp01491e. Epub 2010 Dec 20.

PMID:
21173950
[PubMed]
14.

Visible and ultraviolet spectroscopy of gas phase protein ions.

Antoine R, Dugourd P.

Phys Chem Chem Phys. 2011 Oct 6;13(37):16494-509. doi: 10.1039/c1cp21531k. Epub 2011 Aug 2.

PMID:
21811728
[PubMed - indexed for MEDLINE]
15.
16.

Theoretical investigation of the molecular and electronic structures and excitation spectra of iron phthalocyanine and its derivatives, FePc and FePcL(n) (L = Py, CN-; n = 1, 2).

Sumimoto M, Kawashima Y, Hori K, Fujimoto H.

Dalton Trans. 2009 Aug 7;(29):5737-46. doi: 10.1039/b823309h. Epub 2009 Jun 10.

PMID:
20449088
[PubMed]
17.

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
[PubMed]
18.

Experimental and Theoretical Electronic Structure Investigations on alpha-Nb(3)Cl(8) and the Intercalated Phase beta'-NaNb(3)Cl(8).

Kennedy JR, Adler P, Dronskowski R, Simon A.

Inorg Chem. 1996 Apr 10;35(8):2276-2282.

PMID:
11666424
[PubMed - as supplied by publisher]
19.

Tetraphenylporphyrin electronic properties: a combined theoretical and experimental study of thin films deposited by SuMBD.

Nardi M, Verucchi R, Corradi C, Pola M, Casarin M, Vittadini A, Iannotta S.

Phys Chem Chem Phys. 2010 Jan 28;12(4):871-80. doi: 10.1039/b914847g. Epub 2009 Dec 10.

PMID:
20066372
[PubMed]
20.

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