| Автор | Godehard Sutmann |
| Автор | Renzo Vallauri |
| Дата выпуска | 1998-10-19 |
| dc.description | We present an analysis of hydrogen bonded triplet clusters of water in terms of velocity projections on locally defined molecular coordinates. This makes it possible to perform an approximate normal mode analysis and to establish the relative motions of hydrogen bonded molecules. We find that the interpretation of the velocity autocorrelation function (VACF) of water in terms of stretching and bending motions of hydrogen bonded neighbours is an oversimplification due to cooperative effects in the hydrogen bonded network. Especially, for the peak at we find that it is not only due to O-O-O bending motions in hydrogen bonded groups but also to librational motions of the whole cluster. |
| Формат | application.pdf |
| Издатель | Institute of Physics Publishing |
| Название | Hydrogen bonded clusters in the liquid phase: I. Analysis of the velocity correlation function of water triplets |
| Тип | paper |
| DOI | 10.1088/0953-8984/10/41/006 |
| Electronic ISSN | 1361-648X |
| Print ISSN | 0953-8984 |
| Журнал | Journal of Physics: Condensed Matter |
| Том | 10 |
| Первая страница | 9231 |
| Последняя страница | 9240 |
| Аффилиация | Godehard Sutmann; Universitá degli Studi di Trento, Dipartimento di Fisica, I-38050 Povo, Trento, Italy |
| Аффилиация | Renzo Vallauri; Universitá degli Studi di Trento, Dipartimento di Fisica, I-38050 Povo, Trento, Italy |
| Выпуск | 41 |
