A study of NMR chemical shielding in water clusters derived from molecular dynamics simulations

1994 ◽  
Vol 314 (1-2) ◽  
pp. 19-30 ◽  
Author(s):  
D.B. Chesnut ◽  
B.E. Rusiloski
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Water Clusters ◽  
Chemical Shielding ◽  
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

scholarly journals Parameterization of Peptide13C Carbonyl Chemical Shielding Anisotropy in Molecular Dynamics Simulations

ChemPhysChem ◽  
2007 ◽  
Vol 8 (9) ◽  
pp. 1375-1385 ◽  
Author(s):  
Daniel M. Jordan ◽  
K. Maria Mills ◽  
Ioan Andricioaei ◽  
Akash Bhattacharya ◽  
Kim Palmo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Chemical Shielding ◽  
Dynamics Simulations
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