Theoretical Investigation on the Substituent Effect of Halogen Atoms at the C8 Position of Adenine: Relative Stability, Vibrational Frequencies, and Raman Spectra of Tautomers

2016 ◽  
Vol 120 (23) ◽  
pp. 4049-4058 ◽  
Author(s):  
Yan-Li Chen ◽  
De-Yin Wu ◽  
Zhong-Qun Tian
Keyword(s):  
Raman Spectra ◽  
Theoretical Investigation ◽  
Relative Stability ◽  
Substituent Effect ◽  
Vibrational Frequencies ◽  
Halogen Atoms

DFT Calculations of Vibrational Frequencies of Carbon–Nitrogen Clusters: Raman Spectra of Carbon Nitrides

2010 ◽  
Vol 21 (2) ◽  
pp. 197-210 ◽  
Author(s):  
Ahmad Nazrul Rosli ◽  
Noriza Ahmad Zabidi ◽  
Hasan A. Kassim ◽  
Keshav N. Shrivastava
Keyword(s):  
Dft Calculations ◽  
Raman Spectra ◽  
Vibrational Frequencies ◽  
Carbon Nitrides
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