Structural and dynamic properties of SPC/E water

<p>I have investigated the structural and dynamic properties of water by performing a series of molecular dynamic simulations in the range of temperatures from 213 K to 360 K, using the Simple Point Charge-Extended (SPC/E) model. I performed isobaric-isothermal simulations (1 bar) of 1185 wate...

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Bibliographic Details
Main Author: M. G. Campo
Format: Article
Language:English
Published: Papers in Physics 2010-02-01
Series:Papers in Physics
Subjects:
Online Access:http://www.papersinphysics.org/index.php/papersinphysics/article/view/10/pdf10