Autocorrelation Functions of the Translational and Rotational Velocities of Water

The autocorrelation functions of the translational and rotational velocities of rigid water molecules with different potentials of interatomic interaction are calculated by means of molecular dynamics. Spectral distributions are constructed for all functions. The translational spectra of each model...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Russian Journal of Physical Chemistry A 2022-07, Vol.96 (7), p.1415-1418
Hauptverfasser:	Voloshin, V. P., Naberukhin, Yu. I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Autocorrelation functions Chemistry Chemistry and Materials Science In Memory of G.a. Martynov Molecular dynamics Physical Chemistry Rotational spectra Water chemistry
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!