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2011 ◽  
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Yonghong Zhang ◽  
Shiping Huang ◽  
Peng Wang ◽  
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Different electronic structures and spectroscopic properties of cationic [M(ppy)2(N∧N)]+ (M = Rh, Ir; N∧N = Hcmbpy, H2dcbpy), a DFT study

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Zhi-Jian Wu ◽  
Hong-Jie Zhang ◽  
Xiao-Juan Liu ◽  
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Author(s):  
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Lester Andrews ◽  
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Electronic Structures and Absorption Spectra of Linkage Isomers of Trithiocyanato (4,4‘,4‘ ‘-Tricarboxy-2,2‘:6,2‘ ‘-terpyridine) Ruthenium(II) Complexes:  A DFT Study

2006 ◽  
Vol 45 (19) ◽  
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Author(s):  
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G. Krishna Chaitanya ◽  
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Electronic Structures ◽  
Dft Study ◽  
Linkage Isomers

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2008 ◽  
Vol 47 (5) ◽  
pp. 1435-1442 ◽  
Author(s):  
Jonathan T. Lyon ◽  
Lester Andrews ◽  
Han-Shi Hu ◽  
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Keyword(s):  
Infrared Spectra ◽  
Electronic Structures

A DFT study of atomic geometry and electronic structures for oxidized Al0.25Ga0.75N (001) (2×2) reconstruction surfaces

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Author(s):  
Mingzhu Yang ◽  
Feng Shi ◽  
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scholarly journals DFT and TD-DFT Study of Bis[2-(5-Amino-[1,3,4]-Oxadiazol-2-yl) Phenol](Diaqua)M(II) Complexes [M = Cu, Ni and Zn]: Electronic Structures, Properties and Analyses

2015 ◽  
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2010 ◽  
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Infrared Spectra ◽  
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