| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1233106 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2011 | 7 Pages |
Abstract
Dependences of H-bond energy and OH vibration frequency on geometry of O-Hâ¦O bond are found from the band shape analysis of experimental OH vibration spectra of liquid water. They are verified by molecular dynamics simulations and can thus be suggested for evaluating H-bond energies and vibration frequencies basing on structural data or molecular arrangements provided by computer models.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Yuri Ya. Efimov, Yuri I. Naberukhin,