Cargando…
Tracking Aqueous Proton Transfer by Two-Dimensional Infrared Spectroscopy and ab Initio Molecular Dynamics Simulations
[Image: see text] Proton transfer in water is ubiquitous and a critical elementary event that, via proton hopping between water molecules, enables protons to diffuse much faster than other ions. The problem of the anomalous nature of proton transport in water was first identified by Grotthuss over 2...
Autores principales: | Yuan, Rongfeng, Napoli, Joseph A., Yan, Chang, Marsalek, Ondrej, Markland, Thomas E., Fayer, Michael D. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2019
|
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661862/ https://www.ncbi.nlm.nih.gov/pubmed/31403075 http://dx.doi.org/10.1021/acscentsci.9b00447 |
Ejemplares similares
-
Infrared Spectroscopy of Li(+) Solvation
in Diglyme: Ab Initio Molecular Dynamics and Experiment
por: Yan, Fangyong, et al.
Publicado: (2023) -
Ab Initio Rovibrational Spectroscopy of the Acetylide Anion
por: Schröder, Benjamin
Publicado: (2023) -
Water-Mediated Excited State Proton Transfer of Pyranine–Acetate
in Aqueous Solution: Vibrational Fingerprints from Ab Initio Molecular
Dynamics
por: Chiariello, Maria Gabriella, et al.
Publicado: (2021) -
Ab initio calculation of the neutron-proton mass difference
por: Lellouch, Laurent
Publicado: (2015) -
Disentangling
Peptide Configurations via Two-Dimensional
Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel
Exciton Hamiltonian
por: Nenov, Artur, et al.
Publicado: (2014)