Molecular-dynamics simulations of water clusters

2000 ◽  
Vol 8 (1) ◽  
pp. 40-49 ◽  
Author(s):  
Şakir Erkoç ◽  
Emel Güneyler
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Clusters ◽  
Dynamics Simulations

Molecular dynamics simulations of binary collisions between water clusters

1998 ◽  
Vol 29 ◽  
pp. S543-S544
Author(s):  
Marcus Svanberg ◽  
Liu Ming ◽  
Markovic´ Nikola ◽  
Jan B.C. Pettersson
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Clusters ◽  
Binary Collisions ◽  
Dynamics Simulations

Local Structure and Work of Formation of Water Clusters Studied by Molecular Dynamics Simulations

1996 ◽  
Vol 180 (1) ◽  
pp. 86-97 ◽  
Author(s):  
Elena N. Brodskaya ◽  
Jan Christer Eriksson ◽  
Aatto Laaksonen ◽  
Anatoly I. Rusanov
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Local Structure ◽  
Water Clusters ◽  
Dynamics Simulations

Molecular dynamics simulations of water clusters with ions at atmospheric conditions

2002 ◽  
Vol 116 (18) ◽  
pp. 7879-7892 ◽  
Author(s):  
Elena Brodskaya ◽  
Alexander P. Lyubartsev ◽  
Aatto Laaksonen
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Clusters ◽  
Atmospheric Conditions ◽  
Dynamics Simulations

Theoretical investigation of the solid–liquid phase transition in protonated water clusters

2017 ◽  
Vol 19 (40) ◽  
pp. 27288-27298 ◽  
Author(s):  
Kseniia Korchagina ◽  
Aude Simon ◽  
Mathias Rapacioli ◽  
Fernand Spiegelman ◽  
Jean-Marc L’Hermite ◽  
...  
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Liquid Phase ◽  
Molecular Dynamics Simulations ◽  
Theoretical Investigation ◽  
Water Clusters ◽  
Liquid Phase Transition ◽  
Dynamics Simulations ◽  
Solid Liquid

Molecular dynamics simulations provide an atomistic scale description of the phase transition in protonated water clusters (H2O)nH+(n= 20–23) and an interpretation to recent nano-calorimetric experiments.

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