The Determination of Vibrational Frequencies in H-Bonded Liquids from Molecular Dynamics Simulations View Full Text


Ontology type: schema:Chapter     


Chapter Info

DATE

1987

AUTHORS

Philippe Bopp

ABSTRACT

Molecular Dynamics (MD) computer simulations have become an increasingly important method in the field of liquid studies. In these simulations the atoms and molecules of a chemical system are represented by point masses and rigid bodies moving under the influence of their mutual interactions according to the laws of classical mechanics. The primary input to a simulation is of course the set of potentials (usually called the model) describing the microscopic interactions between the particles in the system. Many such models have been developed in recent years, especially for water and other hydrogen bonded systems. More... »

PAGES

23-26

Book

TITLE

Interactions of Water in Ionic and Nonionic Hydrates

ISBN

978-3-540-17846-0
978-3-642-72701-6

Author Affiliations

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/978-3-642-72701-6_2

DOI

http://dx.doi.org/10.1007/978-3-642-72701-6_2

DIMENSIONS

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