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...

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Detalles Bibliográficos
Autores principales: Brünig, Florian N., Geburtig, Otto, Canal, Alexander von, Kappler, Julian, Netz, Roland R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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

Internet

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

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