Structure of Liquid Formic Acid Investigated by First Principle and Classical Molecular Dynamics Simulations

2005 ◽  
Vol 109 (35) ◽  
pp. 17006-17013 ◽  
Author(s):  
Riccardo Chelli ◽  
Roberto Righini ◽  
Salvatore Califano
Keyword(s):  
Molecular Dynamics ◽  
Formic Acid ◽  
Molecular Dynamics Simulations ◽  
First Principle ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations ◽  
Structure Of Liquid

On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations

2014 ◽  
Vol 16 (39) ◽  
pp. 21135-21143 ◽  
Author(s):  
Richard I. Ainsworth ◽  
Jamieson K. Christie ◽  
Nora H. de Leeuw
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
First Principles ◽  
Classical Molecular Dynamics ◽  
Dynamics Simulations

First-principles and classical molecular dynamics simulations have been carried out on undoped and silver-doped phosphate-based glasses with 50 mol% P2O5, 0–20 mol% Ag2O, and varying amounts of Na2O and CaO.

Sign in / Sign up

Export Citation Format

Share Document