Electronic and vibrational circular dichroism spectroscopic study of non-covalent interactions of meso-5,10,15,20-tetrakis(1-methylpyridinium-4-yl)porphyrin with (dG-dC)10 and (dA-dT)10

2007 ◽  
Vol 43 (1) ◽  
pp. 71-77 ◽  
Author(s):  
Jakub Nový ◽  
Marie Urbanová ◽  
Karel Volka
Author(s):  
Sascha Jähnigen ◽  
Daniel Sebastiani ◽  
Rodolphe Vuilleumier

We present a computational study of vibrational circular dichroism (VCD) in solutions of (S)-lactic acid, relying on ab initio molecular dynamics (AIMD) and full solvation with bulk water. We discuss...


2014 ◽  
Vol 97 (4) ◽  
pp. 471-490 ◽  
Author(s):  
Albert Virgili ◽  
Ma Mar Quesada-Moreno ◽  
Juan Ramón Avilés-Moreno ◽  
Juan Jesús López-González ◽  
M. Ángeles García ◽  
...  

2019 ◽  
Vol 43 (38) ◽  
pp. 15201-15212 ◽  
Author(s):  
R. A. Cobos Picot ◽  
M. Puiatti ◽  
A. Ben Altabef ◽  
R. J. G. Rubira ◽  
S. Sanchez-Cortes ◽  
...  

The aim of this work is to evaluate the vibrational and structural properties of N-acetyl-l-cysteine (NAC), and its molecular structure and electronic properties in relation to the action of thiol and amine groups at different pH.


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