On the atomic polar tensor (APT) approach for vibrational circular dichroism (VCD) and Raman optical activity (ROA)

1988 ◽  
Vol 63 (5) ◽  
pp. 951-954 ◽  
Author(s):  
A. Rupprecht
Keyword(s):  
Circular Dichroism ◽  
Optical Activity ◽  
Vibrational Circular Dichroism ◽  
Raman Optical Activity ◽  
Polar Tensor ◽  
Circular Dichroïsm

A combined Raman optical activity and vibrational circular dichroism study on artemisinin-type products

2020 ◽  
Vol 22 (32) ◽  
pp. 18014-18024 ◽  
Author(s):  
Jonathan Bogaerts ◽  
Filip Desmet ◽  
Roy Aerts ◽  
Patrick Bultinck ◽  
Wouter Herrebout ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Circular Dichroism ◽  
Dft Calculations ◽  
Optical Activity ◽  
Density Functional ◽  
Vibrational Circular Dichroism ◽  
Front Line ◽  
Functional Theory ◽  
Raman Optical Activity ◽  
Circular Dichroïsm

Artemisinin and two of its derivatives, dihydroartemisinin and artesunate, front line drugs against malaria, were studied using Raman optical activity (ROA), vibrational circular dichroism (VCD) experiments and density functional theory (DFT) calculations.

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