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Items: 1 to 20 of 132

1.

Are triphenylamine-functionalized or carbazole-functionalized iridium complexes the more effective phosphorescent materials? A theoretical perspective.

Li Y, Zou LY, Ren AM, Ma MS, Fan JX.

Chemistry. 2014 Apr 14;20(16):4671-80. doi: 10.1002/chem.201304660. Epub 2014 Mar 5.

PMID:
24596028
3.

Emissive or nonemissive? A theoretical analysis of the phosphorescence efficiencies of cyclometalated platinum(II) complexes.

Tong GS, Che CM.

Chemistry. 2009 Jul 20;15(29):7225-37. doi: 10.1002/chem.200802485.

PMID:
19544517
4.

Theoretical study and design of multifunctional phosphorescent platinum(II) complexes containing triarylboron moieties for efficient OLED emitters.

Wu Y, Shan GG, Li HB, Wu SX, Ren XY, Geng Y, Su ZM.

Phys Chem Chem Phys. 2015 Jan 28;17(4):2438-46. doi: 10.1039/c4cp04919e. Epub 2014 Dec 10. Erratum in: Phys Chem Chem Phys. 2015 Feb 14;17(6):4771.

PMID:
25491405
5.
6.

Controlling phosphorescence color and quantum yields in cationic iridium complexes: a combined experimental and theoretical study.

De Angelis F, Fantacci S, Evans N, Klein C, Zakeeruddin SM, Moser JE, Kalyanasundaram K, Bolink HJ, Grätzel M, Nazeeruddin MK.

Inorg Chem. 2007 Jul 23;46(15):5989-6001. Epub 2007 Jun 21.

PMID:
17583337
7.

Shedding light on the photophysical properties of iridium(III) complexes with N-heterocyclic carbene ligands from a theoretical viewpoint.

Wang L, Wu Y, Geng Y, Wu J, Zhu DX, Su ZM.

J Phys Chem A. 2014 Jul 10;118(27):5058-67. doi: 10.1021/jp4099649. Epub 2014 Jun 27.

PMID:
24844441
8.

A theoretical analysis of the phosphorescence efficiencies of Cu(i) complexes.

Zou LY, Cheng YX, Li Y, Li H, Zhang HX, Ren AM.

Dalton Trans. 2014 Aug 7;43(29):11252-9. doi: 10.1039/c4dt00245h. Epub 2014 May 23.

PMID:
24853779
9.

Intersystem-crossing and phosphorescence rates in fac-Ir(III)(ppy)3: a theoretical study involving multi-reference configuration interaction wavefunctions.

Kleinschmidt M, van Wüllen C, Marian CM.

J Chem Phys. 2015 Mar 7;142(9):094301. doi: 10.1063/1.4913513.

PMID:
25747075
11.

Injection, transport, absorption and phosphorescence properties of a series of platinum (II) complexes with N-heterocyclic carbenes: a DFT and time-dependent DFT study.

Li L, Liu X, Feng J, Song S, Zhang H.

J Mol Model. 2014 Oct;20(10):2437. doi: 10.1007/s00894-014-2437-8. Epub 2014 Sep 17.

PMID:
25227448
12.
13.

Theoretical investigation on the photophysical properties of N-heterocyclic carbene iridium (III) complexes (fpmb)(x)Ir(bptz)(3-x) (x = 1-2).

Cao Q, Wang J, Tian ZS, Xie ZF, Bai FQ.

J Comput Chem. 2012 Apr 15;33(10):1038-46. doi: 10.1002/jcc.22935. Epub 2012 Feb 21.

PMID:
22354730
14.

Spin-orbit coupling in phosphorescent iridium(III) complexes.

Smith AR, Burn PL, Powell BJ.

Chemphyschem. 2011 Sep 12;12(13):2429-38. doi: 10.1002/cphc.201100397. Epub 2011 Jul 22.

PMID:
21786381
16.

Theoretical study on the electron transfer and phosphorescent properties of iridium(III) complexes with 2-phenylpyridyl and 8-hydroxyquinolate ligands.

Shi LL, Geng Y, Gao HZ, Su ZM, Wu ZJ.

Dalton Trans. 2010 Sep 7;39(33):7733-40. doi: 10.1039/c0dt00146e. Epub 2010 Jul 23.

PMID:
20652196
17.

Synthesis, characterization, and DFT/TD-DFT calculations of highly phosphorescent blue light-emitting anionic iridium complexes.

Di Censo D, Fantacci S, De Angelis F, Klein C, Evans N, Kalyanasundaram K, Bolink HJ, Grätzel M, Nazeeruddin MK.

Inorg Chem. 2008 Feb 4;47(3):980-9. doi: 10.1021/ic701814h. Epub 2008 Jan 3.

PMID:
18171058
18.

Deep-blue phosphorescence from perfluoro carbonyl-substituted iridium complexes.

Lee S, Kim SO, Shin H, Yun HJ, Yang K, Kwon SK, Kim JJ, Kim YH.

J Am Chem Soc. 2013 Sep 25;135(38):14321-8. doi: 10.1021/ja4065188. Epub 2013 Sep 16.

PMID:
23998654
19.

Injection, transport, absorption and phosphorescence properties of a series of blue-emitting Ir(III) emitters in OLEDs: a DFT and time-dependent DFT study.

Li XN, Wu ZJ, Si ZJ, Zhang HJ, Zhou L, Liu XJ.

Inorg Chem. 2009 Aug 17;48(16):7740-9. doi: 10.1021/ic900585p.

PMID:
19591441
20.

Syntheses and properties of emissive iridium(III) complexes with tridentate benzimidazole derivatives.

Yutaka T, Obara S, Ogawa S, Nozaki K, Ikeda N, Ohno T, Ishii Y, Sakai K, Haga MA.

Inorg Chem. 2005 Jun 27;44(13):4737-46.

PMID:
15962982
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