scholarly journals Double addition of azoles to glyoxal: characterization of the bis-adducts and theoretical study of their structure

ARKIVOC ◽  
2007 ◽  
Vol 2007 (12) ◽  
pp. 55-66 ◽  
Author(s):  
Marta Pérez-Torralba ◽  
Rosa M. Claramunt ◽  
Ibon Alkorta ◽  
José Elguero
Keyword(s):  
Theoretical Study

scholarly journals Theoretical Study on Quantitative Characterization of Interlayer Interference in Multi-Layer Commingled Production

2021 ◽  
Vol 09 (04) ◽  
pp. 21-29
Author(s):  
Pengfei Mu ◽  
Shaopeng Wang ◽  
Jie Tan ◽  
Hanqing Zhao ◽  
Li’an Zhang
Keyword(s):  
Theoretical Study ◽  
Quantitative Characterization

Characterization of halide perovskite/titania interfaces as a function of the interlayer composition: A theoretical study

2020 ◽  
Vol 138 ◽  
pp. 109243
Author(s):  
Kazhal Shalmashi ◽  
Heidar Khosravi ◽  
Arash Boochani ◽  
Yavar T. Azar
Keyword(s):  
Theoretical Study ◽  
Halide Perovskite

Infrared spectroscopic characterization of phosphate binding at the goethite–water interface

2019 ◽  
Vol 21 (8) ◽  
pp. 4421-4434 ◽  
Author(s):  
Ashour A. Ahmed ◽  
Stella Gypser ◽  
Peter Leinweber ◽  
Dirk Freese ◽  
Oliver Kühn
Keyword(s):  
Theoretical Study ◽  
Spectroscopic Characterization ◽  
Water Interface ◽  
Phosphate Binding ◽  
Molecular Binding ◽  
Ft Ir ◽  
Periodic Dft Calculations ◽  
Binding Mechanisms ◽  
Ft Ir Spectroscopy

The molecular binding mechanisms for the adsorbed phosphate at the goethite–water interface have been explored via a joint experimental/theoretical study. This study involved performing sorption experiments, characterization by FT-IR spectroscopy, and performing periodic DFT calculations.

Characterization of Lithium Alkyl Carbonates by X-ray Photoelectron Spectroscopy: Experimental and Theoretical Study

2005 ◽  
Vol 109 (33) ◽  
pp. 15868-15875 ◽  
Author(s):  
R. Dedryvère ◽  
L. Gireaud ◽  
S. Grugeon ◽  
S. Laruelle ◽  
J.-M. Tarascon ◽  
...  
Keyword(s):  
Photoelectron Spectroscopy ◽  
Theoretical Study ◽  
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