Quantum Mechanical Modelling of Exciton and Hole Self-Trapping in Ionic Crystals

Author(s):  
A. L. Shluger ◽  
V. E. Puchin
2016 ◽  
Vol 40 (2) ◽  
pp. 1029-1038 ◽  
Author(s):  
Zhongling Lang ◽  
Isabel Maicas Gabas ◽  
Xavier López ◽  
Anna Clotet ◽  
Jesús M. de la Fuente ◽  
...  

DFT calculations and experimental data prove that the [Na{(MoV2O4)3(μ2-O)3(μ2-SO3)3(μ6-SO3)}2]15− POM is capable of completely reducing Au(iii) to Au(0).


Molecules ◽  
2014 ◽  
Vol 19 (3) ◽  
pp. 2969-2992 ◽  
Author(s):  
Yu Huang ◽  
Elisabeth Wruss ◽  
David Egger ◽  
Satoshi Kera ◽  
Nobuo Ueno ◽  
...  

Author(s):  
P. L. Christiansen ◽  
L. Cruzeiro-Hansson ◽  
H. Feddersen ◽  
R. Flesch ◽  
M. Salerno ◽  
...  

2004 ◽  
Vol 16 (27) ◽  
pp. S2643-S2657 ◽  
Author(s):  
R Jones ◽  
B J Coomer ◽  
P R Briddon

Author(s):  
N. E. Christensen ◽  
E. A. Kotomin ◽  
R. I. Eglitis ◽  
A. V. Postnikov ◽  
G. Borstel ◽  
...  

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