Hydration of Lanthanide Chloride Salts: A Quantum Chemical and Classical Molecular Dynamics Simulation Study

2010 ◽  
Vol 114 (47) ◽  
pp. 15590-15597 ◽  
Author(s):  
Cesar Beuchat ◽  
Daniel Hagberg ◽  
Riccardo Spezia ◽  
Laura Gagliardi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Quantum Chemical ◽  
Dynamics Simulation ◽  
Classical Molecular Dynamics ◽  
Lanthanide Chloride ◽  
Chloride Salts

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.

Ring Opening of Methylenecyclopropane over Lanthanocene Catalyst:  A Quantum-Chemical Molecular Dynamics Simulation Study

2003 ◽  
Vol 22 (11) ◽  
pp. 2181-2183 ◽  
Author(s):  
Yi Luo ◽  
Parasuraman Selvam ◽  
Yuki Ito ◽  
Seiichi Takami ◽  
Momoji Kubo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Study ◽  
Quantum Chemical ◽  
Ring Opening ◽  
Dynamics Simulation ◽  
Quantum Chemical Molecular Dynamics
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