Theoretical study of the electronic structure of Zr(OH)4 and the effects of impurities and defects

2019 ◽  
Vol 157 ◽  
pp. 142-155 ◽  
Author(s):  
V.M. Bermudez
Keyword(s):  
Electronic Structure ◽  
Theoretical Study ◽  
Impurities And Defects

Comment on “Pressure-induced structural and valence transition in AgO” by C. Hou, J. Botana, X. Zhang, X. Wang and M. Miao, Phys. Chem. Chem. Phys., 2016, 18, 15322

2016 ◽  
Vol 18 (46) ◽  
pp. 31973-31974 ◽  
Author(s):  
Mariana Derzsi ◽  
Wojciech Grochala
Keyword(s):  
Electronic Structure ◽  
Recent Article ◽  
Theoretical Study ◽  
Mixed Valence ◽  
Chem Phys ◽  
External Pressure ◽  
Valence Transition ◽  
Mixed Valence Compound ◽  
Phys Chem Chem Phys

The recent article by Hou et al. has focused on a theoretical study of mixed valence compound AgO in order to elucidate the nature of the electronic structure of this system as a function of external pressure.

Experimental and theoretical study of the electronic structure of methyl chloroformate and methyl cyanoformate

2006 ◽  
Vol 800 (1-3) ◽  
pp. 62-68 ◽  
Author(s):  
Xiao-Qing Zeng ◽  
Mao-Fa Ge ◽  
Lin Du ◽  
Zheng Sun ◽  
Dian-Xun Wang
Keyword(s):  
Electronic Structure ◽  
Theoretical Study

Electronic structure of CO adsorbed on small Cu clusters: Theoretical study on excited states

1989 ◽  
Vol 39 (16) ◽  
pp. 11907-11913 ◽  
Author(s):  
Yuji Mochizuki ◽  
Kiyoshi Tanaka ◽  
Kimio Ohno ◽  
Hiroshi Tatewaki
Keyword(s):  
Electronic Structure ◽  
Excited States ◽  
Theoretical Study

Experimental and theoretical study of the electronic structure ofFe3Al,Fe2VAl,andFe2VGa

2002 ◽  
Vol 66 (20) ◽  
Author(s):  
L.-S. Hsu ◽  
Y.-K. Wang ◽  
G. Y. Guo ◽  
C. S. Lue
Keyword(s):  
Electronic Structure ◽  
Theoretical Study
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