A study of the electronic structure of octavinylsilsesquioxane and dendron with chromium based compounds by X-ray photoelectron spectroscopy and quantum chemical modeling in the DFT approximation

2011 ◽  
Vol 52 (S1) ◽  
pp. 145-152 ◽  
Author(s):  
I. S. Osmushko ◽  
V. I. Vovna ◽  
V. V. Korochentsev ◽  
M. V. Tutov ◽  
N. P. Shapkin
Keyword(s):  
Electronic Structure ◽  
Photoelectron Spectroscopy ◽  
Quantum Chemical ◽  
Quantum Chemical Modeling ◽  
Chemical Modeling ◽  
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Electronic structure of C60F36 studied by quantum-chemical modeling of experimental photoemission and x-ray absorption spectra

2009 ◽  
Vol 130 (1) ◽  
pp. 014704 ◽  
Author(s):  
L. G. Bulusheva ◽  
A. V. Okotrub ◽  
V. V. Shnitov ◽  
V. V. Bryzgalov ◽  
O. V. Boltalina ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Quantum Chemical ◽  
Quantum Chemical Modeling ◽  
Chemical Modeling ◽  
X Ray ◽  
X Ray Absorption

Electronic structure of the chlorinated fullerene C60 Cl30 studied by quantum chemical modeling of X-ray absorption spectra

2010 ◽  
Vol 111 (11) ◽  
pp. 2688-2695 ◽  
Author(s):  
Yu. V. Fedoseeva ◽  
L. G. Bulusheva ◽  
A. V. Okotrub ◽  
I. P. Asanov ◽  
S. I. Troyanov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Absorption Spectra ◽  
Quantum Chemical ◽  
Fullerene C60 ◽  
Quantum Chemical Modeling ◽  
Chemical Modeling ◽  
X Ray ◽  
X Ray Absorption

Tautomerism of substituted salicylaldehyde and 2-diphenylphosphinebenzaldehyde 1′-phthalazinylhydrazones: X-ray crystallography and quantum chemical modeling

2013 ◽  
Vol 54 (5) ◽  
pp. 952-959 ◽  
Author(s):  
S. I. Levchenkov ◽  
L. D. Popov ◽  
I. N. Shcherbakov ◽  
G. G. Aleksandrov ◽  
A. A. Zubenko ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Modeling ◽  
Chemical Modeling ◽  
X Ray ◽  
X Ray Crystallography
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