Water clusters: Untangling the mysteries of the liquid, one molecule at a time

FN Keutsch, RJ Saykally - Proceedings of the National …, 2001 - National Acad Sciences
Extensive terahertz laser vibration-rotation-tunneling spectra and mid-IR laser spectra have
been compiled for several isotopomers of small (dimer through hexamer) water clusters …

X-ray and neutron scattering of water

K Amann-Winkel, MC Bellissent-Funel, LE Bove… - Chemical …, 2016 - ACS Publications
This review article focuses on the most recent advances in X-ray and neutron scattering
studies of water structure, from ambient temperature to the deeply supercooled and …

The dielectric relaxation of water between 0 C and 35 C

R Buchner, J Barthel, J Stauber - Chemical Physics Letters, 1999 - Elsevier
Precise complex permittivity data from our laboratory for pure water at temperatures 0.2⩽ ϑ/°
C⩽ 35 are combined with literature results to cover the frequency range 0.2⩽ ν/GHz⩽ 410. A …

Investigation of the temperature dependence of dielectric relaxation in liquid water by THz reflection spectroscopy and molecular dynamics simulation

C Ro/nne, L Thrane, PO Åstrand, A Wallqvist… - The Journal of …, 1997 - pubs.aip.org
Water is in many aspects a remarkable liquid. Apart from its importance in biological
processes and the extended use in chemistry as solvent, the exceptional properties of liquid …

Thermodynamics and proton transport in nafion: II. Proton diffusion mechanisms and conductivity

P Choi, NH Jalani, R Datta - Journal of the electrochemical …, 2005 - iopscience.iop.org
A comprehensive pore transport model is proposed to describe proton diffusion within
Nafion at various hydration levels by incorporating effects of water uptake and various …

Thermodynamics of hydrogen bonding in hydrophilic and hydrophobic media

D Van der Spoel, PJ van Maaren… - The Journal of …, 2006 - ACS Publications
The thermodynamics of hydrogen bond breaking and formation was studied in solutions of
alcohol (methanol, ethanol, 1-propanol) molecules. An extensive series of over 400 …

Structural, electronic, and bonding properties of liquid water from first principles

PL Silvestrelli, M Parrinello - The Journal of chemical physics, 1999 - pubs.aip.org
We study, from first principles, structural, electronic, and bonding properties of liquid water.
Our system is twice as large as that used in previous ab initio simulations and our computed …

THz Spectroscopy of Liquid and

C Rønne, PO Åstrand, SR Keiding - Physical review letters, 1999 - APS
We have measured and analyzed the dielectric (0.1–2 THz) response of liquid H 2 O and D
2 O from 270 to 368 K. The response has been modeled using a Debye model with a fast …

Mechanisms of proton conductance in polymer electrolyte membranes

M Eikerling, AA Kornyshev, AM Kuznetsov… - The Journal of …, 2001 - ACS Publications
We provide a phenomenological description of proton conductance in polymer electrolyte
membranes, based on contemporary views of proton transfer processes in condensed …

Dynamic properties of water/alcohol mixtures studied by computer simulation

EJW Wensink, AC Hoffmann, PJ van Maaren… - The Journal of …, 2003 - pubs.aip.org
We have studied mixtures of alcohol and water in an extensive series of 465 molecular-
dynamics simulations with an aggregate length of 713 ns, in order to study excess properties …