Local structural effects on intermolecular vibrations in liquid water: The instantaneous-normal-mode analysis

K. H. Tsai*, Ten-Ming Wu

*此作品的通信作者

研究成果: Conference contribution同行評審

摘要

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.

原文English
主出版物標題Complex Systems - 5th International Workshop on Complex Systems
頁面410-413
頁數4
DOIs
出版狀態Published - 14 三月 2008
事件5th International Workshop on Complex Systems - Sendai, Japan
持續時間: 25 九月 200728 九月 2007

出版系列

名字AIP Conference Proceedings
982
ISSN(列印)0094-243X
ISSN(電子)1551-7616

Conference

Conference5th International Workshop on Complex Systems
國家/地區Japan
城市Sendai
期間25/09/0728/09/07

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