scholarly journals The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics

2018 ◽  
Vol 9 (5) ◽  
pp. 1126-1135 ◽  
Author(s):  
Greta Donati ◽  
Alessio Petrone ◽  
Pasquale Caruso ◽  
Nadia Rega
Keyword(s):  
Excited State ◽  
Green Fluorescent Protein ◽  
Ab Initio ◽  
Frequency Domain ◽  
Fluorescent Protein ◽  
Vibrational Analysis ◽  
Time Resolved ◽  
Green Fluorescent ◽  
New Time

A new time-resolved vibrational analysis unveils the mechanism of an excited state proton shuttle in green fluorescent protein.

Unveiling anharmonic coupling by means of excited state ab initio dynamics: application to diarylethene photoreactivity

2019 ◽  
Vol 21 (7) ◽  
pp. 3606-3614 ◽  
Author(s):  
Maria Gabriella Chiariello ◽  
Umberto Raucci ◽  
Federico Coppola ◽  
Nadia Rega
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Vibrational Analysis ◽  
Time Resolved ◽  
Anharmonic Coupling ◽  
New Time

We adopted excited state ab initio dynamics and a new time resolved vibrational analysis to unveil coupling between modes promoting photorelaxation.

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