scholarly journals Quantitative first principles calculations of protein circular dichroism in the near-ultraviolet

2017 ◽  
Vol 8 (6) ◽  
pp. 4318-4333 ◽  
Author(s):  
Zhuo Li ◽  
Jonathan D. Hirst
Keyword(s):  
Circular Dichroism ◽  
First Principles ◽  
Vibrational Structure ◽  
Electronic Transitions ◽  
First Principles Calculations ◽  
Quantitative Calculation ◽  
Near Ultraviolet ◽  
Circular Dichroïsm

Including the vibrational structure of the electronic transitions of aromatic groups allows quantitative calculation of protein near-UV circular dichroism.

X-ray magnetic circular dichroism in iron chalcogenides Fe1−xS: First-principles calculations

2009 ◽  
Vol 106 (12) ◽  
pp. 123907 ◽  
Author(s):  
V. N. Antonov ◽  
L. V. Bekenov ◽  
A. P. Shpak ◽  
L. P. Germash ◽  
A. N. Yaresko ◽  
...  
Keyword(s):  
Circular Dichroism ◽  
First Principles ◽  
Magnetic Circular Dichroism ◽  
First Principles Calculations ◽  
X Ray ◽  
Iron Chalcogenides ◽  
Circular Dichroïsm

scholarly journals Laser-driven electron dynamics for circular dichroism in mass spectrometry: from one-photon excitations to multiphoton ionization

2015 ◽  
Vol 17 (29) ◽  
pp. 19643-19655 ◽  
Author(s):  
Dominik Kröner
Keyword(s):  
Mass Spectrometry ◽  
Circular Dichroism ◽  
Laser Pulse ◽  
First Principles ◽  
Multiphoton Ionization ◽  
First Principles Calculations ◽  
Electron Dynamics ◽  
Resonant Laser ◽  
Circular Dichroïsm ◽  
Photon Excitations

Many electron dynamics based on first-principles calculations reveal origin of the distinction of enantiomers by non-resonant laser pulse ionization.

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