scholarly journals Time-resolved photoelectron imaging spectra from non-adiabatic molecular dynamics simulations

2013 ◽  
Vol 139 (13) ◽  
pp. 134104 ◽  
Author(s):  
Alexander Humeniuk ◽  
Matthias Wohlgemuth ◽  
Toshinori Suzuki ◽  
Roland Mitrić
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Photoelectron Imaging ◽  
Time Resolved ◽  
Dynamics Simulations

Excited state dynamics and conformations of a Cu(ii)-phthalocyanine-perylenebisimide dyad

2017 ◽  
Vol 19 (33) ◽  
pp. 22169-22176 ◽  
Author(s):  
K. Wilma ◽  
T. Unger ◽  
S. Tuncel Kostakoğlu ◽  
M. Hollfelder ◽  
C. Hunger ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Excited State ◽  
Molecular Dynamics Simulations ◽  
Time Resolved ◽  
Time Resolved Spectroscopy ◽  
Excited State Dynamics ◽  
Donor Acceptor ◽  
Dynamics Simulations

We present a full characterisation of a new donor–acceptor CuPc-PBI-dyad using time-resolved spectroscopy as well as molecular dynamics simulations.

scholarly journals Time-Resolved Protein Side-Chain Motions Unraveled by High-Resolution Relaxometry and Molecular Dynamics Simulations

2018 ◽  
Vol 140 (41) ◽  
pp. 13456-13465 ◽  
Author(s):  
Samuel F. Cousin ◽  
Pavel Kadeřávek ◽  
Nicolas Bolik-Coulon ◽  
Yina Gu ◽  
Cyril Charlier ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
High Resolution ◽  
Molecular Dynamics Simulations ◽  
Side Chain ◽  
Time Resolved ◽  
Dynamics Simulations
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