Quantum-classical molecular dynamics simulation of femtosecond spectroscopy on I2 in inert gases: Mechanisms for the decay of pump–probe signals

1999 ◽  
Vol 111 (17) ◽  
pp. 7807-7817 ◽  
Author(s):  
V. A. Ermoshin ◽  
A. K. Kazansky ◽  
V. Engel
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Femtosecond Spectroscopy ◽  
Inert Gases ◽  
Dynamics Simulation ◽  
Pump Probe ◽  
Classical Molecular Dynamics

Molecular Dynamics Simulation of Femtosecond Pump-Probe Experiments on I2 in Ar Environments

2000 ◽  
Vol 214 (9) ◽  
Author(s):  
V.A. Ermoshin ◽  
V. Engel
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Time Resolved ◽  
Pump Probe ◽  
Classical Molecular Dynamics ◽  
Molecular Dynamics Methods

We present the application of classical molecular dynamics methods to the simulation of femtosecond time-resolved experiments. Choosing I

Influence of the size and charge of gold nanoclusters on complexation with siRNA: a molecular dynamics simulation study

2015 ◽  
Vol 17 (45) ◽  
pp. 30307-30317 ◽  
Author(s):  
Sathish Kumar Mudedla ◽  
Ettayapuram Ramaprasad Azhagiya Singam ◽  
Kanagasabai Balamurugan ◽  
Venkatesan Subramanian
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Simulation Study ◽  
Gold Nanoclusters ◽  
Dynamics Simulation ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations ◽  
Positively Charged

The complexation of siRNA with positively charged gold nanoclusters has been studied using classical molecular dynamics simulations.

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