@inproceedings{89b6251e185341049a0acce3e553742a,
title = "Local structural effects on intermolecular vibrations in liquid water: The instantaneous-normal-mode analysis",
abstract = "Currently, the designations for the low-frequency vibrational spectrum of liquid watrer are still diversified. In this paper, the water molecules simulated by the SPC/E model are classified into subensembles, characterized by their local structures, which are specified in two different ways: the geometry of Voronoi polyhedron or the H-bond configuration. Using the instantaneous normal mode (INM) analysis for these subensembles, we investigate the effects of local structure on the low-frequency INM spectrum of liquid water. From the contributions of these subensembles to the translational INM spectrum, our results provide insights into the geometric effects of local structure and the H-bond configuration on intermolecular vibrations in liquid water.",
keywords = "H-bond, Instantaneous normal modes, Raman spectram, Voronoi polyhedron",
author = "Tsai, {K. H.} and Ten-Ming Wu",
year = "2008",
month = mar,
day = "14",
doi = "10.1063/1.2897830",
language = "English",
isbn = "9780735405011",
series = "AIP Conference Proceedings",
pages = "410--413",
booktitle = "Complex Systems - 5th International Workshop on Complex Systems",
note = "null ; Conference date: 25-09-2007 Through 28-09-2007",
}