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There are 73619 results for: content related to: Computational studies on the injection, transport, absorption, and phosphoresce properties of a series of cationic iridium (III) complexes [Ir(C∧N) 2 (L) 2 ] + (C∧N = ppy, tpy, dfppy, bzq)

  1. Density functional theory and time-dependent density functional theory study on a series of iridium complexes with tetraphenylimidodiphosphinate ligand

    Journal of Physical Organic Chemistry

    Volume 26, Issue 10, October 2013, Pages: 840–848, Ming-Xing Song, Zhao-Min Hao, Zhi-Jian Wu, Shu-Yan Song, Liang Zhou, Rui-Ping Deng and Hong-Jie Zhang

    Version of Record online : 22 JUL 2013, DOI: 10.1002/poc.3179

  2. Long-Lived Room-Temperature Deep-Red-Emissive Intraligand Triplet Excited State of Naphthalimide in Cyclometalated IrIII Complexes and its Application in Triplet-Triplet Annihilation-Based Upconversion

    Chemistry - A European Journal

    Volume 18, Issue 26, June 25, 2012, Pages: 8100–8112, Jifu Sun, Wanhua Wu and Prof. Jianzhang Zhao

    Version of Record online : 21 MAY 2012, DOI: 10.1002/chem.201200224

  3. Theoretical Study on Cationic Iridium(III) Complexes with a Diphosphane Ligand – Geometry, Electronic Properties, and Application for Light-Emitting Electrochemical Cells

    European Journal of Inorganic Chemistry

    Volume 2013, Issue 19, July 2013, Pages: 3370–3383, Xiaochun Qu, Yuqi Liu, Gahungu Godefroid, Yanling Si, Xiaohong Shang, Xue Wu and Zhijian Wu

    Version of Record online : 16 MAY 2013, DOI: 10.1002/ejic.201300159

  4. DFT/TD-DFT investigation on Ir(III) complexes with N-heterocyclic carbene ligands: Geometries, electronic structures, absorption, and phosphorescence properties

    Journal of Computational Chemistry

    Volume 31, Issue 3, February 2010, Pages: 628–638, Tao Liu, Bao-Hui Xia, Qing-Chuan Zheng, Xin Zhou, Qing-Jiang Pan and Hong-Xing Zhang

    Version of Record online : 23 JUN 2009, DOI: 10.1002/jcc.21360

  5. Efficient blue-emitting Ir(III) complexes with phenyl-methyl-benzimidazolyl and picolinate ligands: A DFT and time-dependent DFT study

    International Journal of Quantum Chemistry

    Volume 113, Issue 11, 5 June 2013, Pages: 1641–1649, Ming-Xing Song, Zhao-Min Hao, Zhi-Jian Wu, Shu-Yan Song, Liang Zhou, Rui-Ping Deng and Hong-Jie Zhang

    Version of Record online : 8 JAN 2013, DOI: 10.1002/qua.24379

  6. Theoretical Investigation and Design of Highly Efficient Blue Phosphorescent Iridium(III) Complexes Bearing Fluorinated Aromatic Sulfonyl Groups

    ChemPhysChem

    Volume 17, Issue 24, December 15, 2016, Pages: 4149–4157, Wenting Zhang, Yafei Luo, Yanyan Xu, Wenqian Li and Prof. Wei Shen

    Version of Record online : 7 NOV 2016, DOI: 10.1002/cphc.201600945

  7. Theoretical study on the influence of ancillary ligand on the spectroscopic properties and electronic structures of phosphorescent Pt(II) complexes

    International Journal of Quantum Chemistry

    Volume 110, Issue 6, May 2010, Pages: 1142–1151, Min Zhang, Yan Li, Ze-Sheng Li and Jia-Zhong Sun

    Version of Record online : 16 JUL 2009, DOI: 10.1002/qua.22185

  8. Observation of Room-Temperature Deep-Red/Near-IR Phosphorescence of Pyrene with Cycloplatinated Complexes: An Experimental and Theoretical Study

    European Journal of Inorganic Chemistry

    Volume 2010, Issue 28, October 2010, Pages: 4470–4482, Wenting Wu, Wanhua Wu, Shaomin Ji, Huimin Guo and Jianzhang Zhao

    Version of Record online : 4 AUG 2010, DOI: 10.1002/ejic.201000488

  9. Description of excited states in [Re(Imidazole)(CO)3(Phen)]+ including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach

    Journal of Computational Chemistry

    Volume 37, Issue 27, October 15, 2016, Pages: 2454–2466, Maria Fumanal and Chantal Daniel

    Version of Record online : 11 AUG 2016, DOI: 10.1002/jcc.24469

  10. The Reasons for Ligand-Dependent Quantum Yields and Absorption Spectrum of Four Polypyridylruthenium(II) Complexes with a Tetrazolate-Based Ligand: TDDFT Study

    European Journal of Inorganic Chemistry

    Volume 2009, Issue 27, September 2009, Pages: 4052–4061, Xiao-Na Li, Zhi-Jian Wu, Hong-Jie Zhang, Zhen-Jun Si, Liang Zhou and Xiao-Juan Liu

    Version of Record online : 12 AUG 2009, DOI: 10.1002/ejic.200900344

  11. Theoretical studies on the electronic structures and spectroscopic properties of a series of novel N[BOND]C[BOND]N-coordinating Pt(II) complexes

    International Journal of Quantum Chemistry

    Volume 110, Issue 9, 5 August 2010, Pages: 1605–1614, Bao-Zhu Yang, Xin Zhou, Tao Liu, Fu-Quan Bai and Hong-Xing Zhang

    Version of Record online : 22 OCT 2009, DOI: 10.1002/qua.22313

  12. Theoretical Insight Into the Role of Triarylboron Substituents in Tetradentate Dianionic Bis(N-heterocyclic carbene) Platinum(II) Chelates – Improving the Performance of Blue Light Emission

    European Journal of Inorganic Chemistry

    Volume 2015, Issue 11, April 2015, Pages: 1902–1911, Li Tian, Yafei Luo, Luqiong Zhang, Ming Li, Rongxing He and Wei Shen

    Version of Record online : 2 MAR 2015, DOI: 10.1002/ejic.201403092

  13. Structures, Electronic States and Electroluminescent Properties of a Series of CuI Complexes

    European Journal of Inorganic Chemistry

    Volume 2005, Issue 10, May 2005, Pages: 1867–1879, Li Yang, Ji-Kang Feng, Ai-Min Ren, Ming Zhang, Yu-Guang Ma and Xiao-Dong Liu

    Version of Record online : 18 MAY 2005, DOI: 10.1002/ejic.200400941

  14. Theoretical study on the spectroscopic properties and electronic structures of heteroleptic phosphorescent Ir(III) complexes

    International Journal of Quantum Chemistry

    Volume 109, Issue 6, May 2009, Pages: 1167–1176, Min Zhang, Ze-Sheng Li, Yan Li, Jia Liu and Jia-Zhong Sun

    Version of Record online : 4 NOV 2008, DOI: 10.1002/qua.21907

  15. Efficiency enhancement of dye-sensitized TiO2 solar cell based on ruthenium(II) terpyridyl complex photosensitizer

    International Journal of Energy Research

    Volume 39, Issue 7, 10 June 2015, Pages: 977–992, Riadh Sahnoun, Agalya Govindasamy and Akira Miyamoto

    Version of Record online : 16 FEB 2015, DOI: 10.1002/er.3308

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

    Journal of Computational Chemistry

    Volume 33, Issue 10, 15 April 2012, Pages: 1038–1046, Qi Cao, Jing Wang, Zhao-Shuo Tian, Zai-Feng Xie and Fu-Quan Bai

    Version of Record online : 21 FEB 2012, DOI: 10.1002/jcc.22935

  17. DFT/TDDFT studies of the ancillary ligand effects on structures and photophysical properties of rhenium (I) tricarbonyl complexes with the imidazo[4,5-f]-1,10-phenanthroline ligand

    International Journal of Quantum Chemistry

    Volume 115, Issue 20, October 15, 2015, Pages: 1467–1474, Xiao-Zhu Yang, Ting-Ting Zhang, Jia Wei, Jian-Feng Jia and Hai-Shun Wu

    Version of Record online : 6 JUN 2015, DOI: 10.1002/qua.24951

  18. Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory

    International Journal of Quantum Chemistry

    Volume 112, Issue 11, 5 June 2012, Pages: 2422–2428, Yan Su and Li-Hua Kang

    Version of Record online : 30 DEC 2011, DOI: 10.1002/qua.23262

  19. A Computational Approach to Tuning the Photochemistry of Platinum(IV) Anticancer Agents

    Chemistry - A European Journal

    Volume 18, Issue 34, August 20, 2012, Pages: 10630–10642, Hui-Chung Tai, Yao Zhao, Dr. Nicola J. Farrer, Dr. Anna E. Anastasi, Dr. Guy Clarkson, Prof. Peter J. Sadler and Prof. Robert J. Deeth

    Version of Record online : 13 JUL 2012, DOI: 10.1002/chem.201200782

  20. Electronic structures and photophysical properties of phosphorescent platinum (II) complexes with tridentate C^N*N cyclometalated ligands

    Applied Organometallic Chemistry

    Wenqian Li, Jian Wang, Xi Yan, Huize Zhang and Wei Shen

    Version of Record online : 29 JUN 2017, DOI: 10.1002/aoc.3929