scholarly journals Electric properties of the 3-methyl-4-nitropyridine-1-oxyde (POM) molecules in solid phase: A theoretical study including environment polarization effect

2017 ◽  
Vol 669 ◽  
pp. 176-180 ◽  
Author(s):  
O.L. Santos ◽  
J.R. Sabino ◽  
H.C. Georg ◽  
T.L. Fonseca ◽  
M.A. Castro
Keyword(s):  
Polarization Effect ◽  
Theoretical Study ◽  
Solid Phase ◽  
Electric Properties

Ligand-exchange mechanism: new insight into solid-phase extraction of uranium based on a combined experimental and theoretical study

2015 ◽  
Vol 17 (11) ◽  
pp. 7214-7223 ◽  
Author(s):  
Yin Tian ◽  
Jia Fu ◽  
Yi Zhang ◽  
Kecheng Cao ◽  
Chiyao Bai ◽  
...  
Keyword(s):  
Solid Phase Extraction ◽  
Ligand Exchange ◽  
Theoretical Study ◽  
Solid Phase ◽  
Exchange Process ◽  
Water Molecules ◽  
Phase Extraction ◽  
Extraction Mechanism ◽  
Coordinated Water ◽  
Insight Into

The extraction mechanism is an exchange process between the ligands on Urea-GO and the coordinated water molecules of uranyl.

Polarization effects on the electric properties of urea and thiourea molecules in solid phase

2015 ◽  
Vol 143 (23) ◽  
pp. 234503 ◽  
Author(s):  
O. L. Santos ◽  
T. L. Fonseca ◽  
J. R. Sabino ◽  
H. C. Georg ◽  
M. A. Castro
Keyword(s):  
Solid Phase ◽  
Electric Properties ◽  
Polarization Effects

Heteroaromatic Chromophores: Structure, Electric Properties, Condensed Phase and Aggregation Effects: a Combined Experimental and Theoretical Study

2007 ◽  
Author(s):  
Stefano Elli ◽  
Andrea Magrì ◽  
Elisa Venturini ◽  
Fabrizia Negri ◽  
Alessandro Abbotto ◽  
...  
Keyword(s):  
Condensed Phase ◽  
Theoretical Study ◽  
Electric Properties

scholarly journals Theoretical study of electric properties of zig-zag carbon nanotubes at low nitrogen concentration

2017 ◽  
Vol 7 ◽  
pp. 1230-1231 ◽  
Author(s):  
Elsa G. Ordoñez Casanova ◽  
Francisco Espinosa Magaña ◽  
Hector A. Trejo Mandujano
Keyword(s):  
Carbon Nanotubes ◽  
Theoretical Study ◽  
Nitrogen Concentration ◽  
Electric Properties ◽  
Low Nitrogen

Solid-state vibrational spectra and theoretical study of alaninamide acetate

2007 ◽  
Vol 61 (6) ◽  
Author(s):  
T. Kolev
Keyword(s):  
Solid State ◽  
Nmr Spectra ◽  
Theoretical Study ◽  
Solid Phase ◽  
Vibrational Analysis ◽  
Spectroscopic Properties ◽  
13C Nmr Spectra ◽  
1H And 13C Nmr ◽  
Raman Spectroscopic ◽  
Ir And Raman

AbstractSolid-state IR and Raman spectroscopic elucidation of alaninamide acetate is preformed by means of the possibilities of linear-polarized IR and Raman methods. The experimental assignment is compared with theoretical vibrational analysis with the intention to explain the influence of intermolecular interactions in solid phase on the spectroscopic properties of the compound studied. The 1H and 13C NMR spectra in solution are compared with the corresponding ones of alanine, studying the amidation effect on the chemical shift signals in the alanine moieties.

A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene

2014 ◽  
Vol 89 (1) ◽  
pp. 1-11
Author(s):  
Ö. Tamer ◽  
D. Avcı ◽  
Ç. Arıoğlu ◽  
A. Başoğlu ◽  
Y. Atalay
Keyword(s):  
Theoretical Study ◽  
Electric Properties
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