Density relaxation and particle motion characteristics in a non-ionic deep eutectic solvent (acetamide + urea): Time-resolved fluorescence measurements and all-atom molecular dynamics simulations

2015 ◽  
Vol 142 (3) ◽  
pp. 034505 ◽  
Author(s):  
Anuradha Das ◽  
Suman Das ◽  
Ranjit Biswas
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Particle Motion ◽  
Deep Eutectic Solvent ◽  
Time Resolved Fluorescence ◽  
Time Resolved ◽  
Fluorescence Measurements ◽  
Motion Characteristics ◽  
Dynamics Simulations

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

scholarly journals Revealing the interfacial nanostructure of a deep eutectic solvent at a solid electrode

2020 ◽  
Vol 22 (21) ◽  
pp. 12104-12112 ◽  
Author(s):  
Nebojša Zec ◽  
Gaetano Mangiapia ◽  
Mikhail L. Zheludkevich ◽  
Sebastian Busch ◽  
Jean-François Moulin
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Deep Eutectic Solvent ◽  
Neutron Reflectometry ◽  
Solid Electrode ◽  
Electrode Interface ◽  
Dynamics Simulations

The structure of an ionic liquid at an electrode interface was studied by a combination of neutron reflectometry measurements and molecular 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.

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