Theoretical investigation on the electronic structures and phosphorescent properties of a series of cyclometalated platinum(II) complexes with different substituted N-heterocyclic carbene ligands

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2015.1069447 ◽

2016 ◽

Vol 625 (1) ◽

pp. 202-211 ◽

Author(s):

Deming Han ◽

Xiuxia He ◽

Lihui Zhao ◽

Chunying Pang ◽

Yuanhua Yu ◽

...

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Carbene Ligands

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Theoretical Investigation of Electronic Structures, Elastic, and Magnetic Properties of Rh2CrGe Full-Heusler Alloy

Acta Physica Polonica A ◽

10.12693/aphyspola.136.454 ◽

2019 ◽

Vol 136 (3) ◽

pp. 454-459

Author(s):

M. Mebrek ◽

A. Mokaddem ◽

F. Bouasria ◽

B. Doumi ◽

A. Mir ◽

...

Keyword(s):

Magnetic Properties ◽

Theoretical Investigation ◽

Electronic Structures ◽

Heusler Alloy ◽

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Theoretical investigation of electronic structures and excitation energies of doubly N-confused porphyrin and its group 11 transition metal (III) complexes

The Journal of Chemical Physics ◽

10.1063/1.2749513 ◽

2007 ◽

Vol 126 (24) ◽

pp. 245106 ◽

Author(s):

Yulan Zhu ◽

Shuyu Zhou ◽

Yuhe Kan ◽

Likai Yan ◽

Zhongmin Su

Keyword(s):

Transition Metal ◽

Theoretical Investigation ◽

Electronic Structures ◽

Excitation Energies

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ChemInform Abstract: Phosphorus-Nitrogen Multiple Bonds. Theoretical Investigation of Structure and Bonding in (NH)2PNH2, (NH2)2PN, and the (Cyclic) Dimer P2N6H8(SCF calculations of molecular and electronic structures).

Chemischer Informationsdienst ◽

10.1002/chin.198608004 ◽

1986 ◽

Vol 17 (8) ◽

Author(s):

R. AHLRICHS ◽

H. SCHIFFER

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Cyclic Dimer ◽

Multiple Bonds ◽

Structure And Bonding ◽

Scf Calculations

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Structural properties, electronic structures and optical properties of WB2 with different structures: A theoretical investigation

Ceramics International ◽

10.1016/j.ceramint.2018.03.203 ◽

2018 ◽

Vol 44 (10) ◽

pp. 11438-11447 ◽

Author(s):

Dan Liu ◽

Yonghua Duan ◽

Weizong Bao

Keyword(s):

Optical Properties ◽

Structural Properties ◽

Theoretical Investigation ◽

Electronic Structures

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Electronic Structures and Properties of Pdn−C60−Pdn Nanocontacts: A Theoretical Investigation

The Journal of Physical Chemistry C ◽

10.1021/jp900370h ◽

2009 ◽

Vol 113 (26) ◽

pp. 11351-11357 ◽

Author(s):

Manoj K. Shukla ◽

Madan Dubey ◽

Eugene Zakar ◽

Jerzy Leszczynski

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Structures And Properties

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Theoretical investigation of the molecular, electronic structures and vibrational spectra of a series of first transition metal phthalocyanines

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2006.10.013 ◽

2007 ◽

Vol 67 (5) ◽

pp. 1232-1246 ◽

Author(s):

Zhongqiang Liu ◽

Xianxi Zhang ◽

Yuexing Zhang ◽

Jianzhuang Jiang

Keyword(s):

Transition Metal ◽

Theoretical Investigation ◽

Vibrational Spectra ◽

Electronic Structures ◽

Molecular Electronic ◽

Metal Phthalocyanines

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[n]-Polyenovanillins (n= 1−6) as New Push−Pull Polyenes for Nonlinear Optics: Synthesis, Structural Studies, and Experimental and Theoretical Investigation of Their Spectroscopic Properties, Electronic Structures, and Quadratic Hyperpolarizabilities

Chemistry of Materials ◽

10.1021/cm9504899 ◽

1996 ◽

Vol 8 (4) ◽

pp. 890-906 ◽

Author(s):

Thierry Brotin ◽

Chantal Andraud ◽

Isabelle Ledoux ◽

Sophie Brasselet ◽

Joseph Zyss ◽

...

Keyword(s):

Nonlinear Optics ◽

Theoretical Investigation ◽

Electronic Structures ◽

Spectroscopic Properties ◽

Structural Studies

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Accesses to electronic structures and the excited states of blue luminescent copper(I) complexes containing N-heterocyclic carbene ligands: a DFT/TDDFT exploitation

Journal of Molecular Modeling ◽

10.1007/s00894-014-2416-0 ◽

2014 ◽

Vol 20 (9) ◽

Author(s):

Qiang Li ◽

Feng Zhao ◽

Shengxian Xu ◽

Hongying Xia ◽

Jinglan Wang ◽

...

Keyword(s):

Excited States ◽

Electronic Structures ◽

Carbene Ligands

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Theoretical Investigation on the Electronic Structures and Optoelectronic Properties of a Series of Platinum(II) Complexes with Different Substituent Groups

Molecular Crystals and Liquid Crystals ◽

10.1080/15421406.2014.954317 ◽

2015 ◽

Vol 616 (1) ◽

pp. 133-142 ◽

Author(s):

Deming Han ◽

Jingmei Li ◽

Chunying Pang ◽

Lihui Zhao ◽

Bing Xia ◽

...

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Optoelectronic Properties

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Theoretical investigation on the electronic structures and photophysical properties of a series of iridium(III) complexes based on amidate ancillary ligand

Optik ◽

10.1016/j.ijleo.2015.12.010 ◽

2016 ◽

Vol 127 (6) ◽

pp. 3230-3234

Author(s):

Deming Han ◽

Xiaofeng Zhang ◽

Guozhong Xu ◽

Jingmei Li ◽

Lihui Zhao ◽

...

Keyword(s):

Theoretical Investigation ◽

Electronic Structures ◽

Photophysical Properties ◽

Ancillary Ligand

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