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Time-Dependent Friction Effects on Vibrational Infrared Frequencies and Line Shapes of Liquid Water
[Image: see text] From ab initio simulations of liquid water, the time-dependent friction functions and time-averaged nonlinear effective bond potentials for the OH stretch and HOH bend vibrations are extracted. The obtained friction exhibits not only adiabatic contributions at and below the vibrati...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8883462/ https://www.ncbi.nlm.nih.gov/pubmed/35167754 http://dx.doi.org/10.1021/acs.jpcb.1c09481 |