scholarly journals THEORETICAL STUDY OF THE VIBRATIONAL SPECTROSCOPY OF THE ETHYL RADICAL

2014 ◽  
Author(s):  
Daniel Tabor ◽  
Edwin Sibert
Keyword(s):  
Vibrational Spectroscopy ◽  
Theoretical Study ◽  
Ethyl Radical

The vibrational spectroscopy of the coordinated azide anion; a theoretical study

2016 ◽  
Vol 18 (1) ◽  
pp. 414-425 ◽  
Author(s):  
Eliano Diana ◽  
Karl Gatterer ◽  
Sidney F. A. Kettle
Keyword(s):  
Group Theory ◽  
Vibrational Spectroscopy ◽  
Vibrational Spectra ◽  
Theoretical Study ◽  
Model Systems ◽  
Related Model ◽  
Azide Anion ◽  
Charge Distributions

DFT has been used to model azide complexes and related model systems, in order to provide an understanding of azide vibrational spectra. The spectra are controlled by the charge distributions and the metal involved. This means that a group theory-based approach will seldom enable an interpretation, even though the azide groups are commonly vibrationally coupled.

Theoretical study of sum-frequency vibrational spectroscopy on limonene surface

2014 ◽  
Vol 140 (10) ◽  
pp. 104702 ◽  
Author(s):  
Ren-Hui Zheng ◽  
Wen-Mei Wei ◽  
Hao Liu ◽  
Yuan-Yuan Jing ◽  
Bo-Yang Wang ◽  
...  
Keyword(s):  
Vibrational Spectroscopy ◽  
Theoretical Study ◽  
Sum Frequency

scholarly journals Site-specific hydrogen-atom elimination in photoexcited ethyl radical

2019 ◽  
Vol 10 (26) ◽  
pp. 6494-6502 ◽  
Author(s):  
David V. Chicharro ◽  
Sonia Marggi Poullain ◽  
Alexandre Zanchet ◽  
Aymen Bouallagui ◽  
Alberto García-Vela ◽  
...  
Keyword(s):  
Hydrogen Atom ◽  
Rydberg State ◽  
Theoretical Study ◽  
Site Specific ◽  
Ethyl Radical

The photochemistry of the ethyl radical following excitation to the 3p Rydberg state is investigated in a joint experimental and theoretical study.

Vibrational spectroscopy of polypyrrole, theoretical study

1995 ◽  
Vol 102 (8) ◽  
pp. 3104-3109 ◽  
Author(s):  
R. Kostić ◽  
D. Raković ◽  
S. A. Stepanyan ◽  
I. E. Davidova ◽  
L. A. Gribov
Keyword(s):  
Vibrational Spectroscopy ◽  
Theoretical Study

Theoretical study and vibrational spectroscopy of two 5,6,7-trioxygenated coumarins

2007 ◽  
Vol 843 (1-3) ◽  
pp. 57-65 ◽  
Author(s):  
Carlos A. Franca ◽  
Ana C. González Baró ◽  
Reinaldo Pis Diez
Keyword(s):  
Vibrational Spectroscopy ◽  
Theoretical Study
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