Vibrational spectroscopy as a probe of structure and dynamics in liquid water

HJ Bakker, JL Skinner - Chemical reviews, 2010 - ACS Publications
Water is, of course, a fascinating and important substance. For such a simple molecule, its
condensed phase properties are surprisingly complex. Here we might mention the many …

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 …

Machine-learning-assisted material discovery of oxygen-rich highly porous carbon active materials for aqueous supercapacitors

T Wang, R Pan, ML Martins, J Cui, Z Huang… - Nature …, 2023 - nature.com
Porous carbons are the active materials of choice for supercapacitor applications because of
their power capability, long-term cycle stability, and wide operating temperatures. However …

Hydrogen-bond kinetics in liquid water

A Luzar, D Chandler - Nature, 1996 - nature.com
HYDROGEN bonds play a crucial role in the behaviour of water1–4; their spatial patterns
and fluctuations characterize the structure and dynamics of the liquid5–7. The processes of …

Multimodality of structural, electrical, and gravimetric responses of intercalated MXenes to water

ES Muckley, M Naguib, HW Wang, L Vlcek, NC Osti… - ACS …, 2017 - ACS Publications
Understanding of structural, electrical, and gravimetric peculiarities of water vapor
interaction with ion-intercalated MXenes led to design of a multimodal humidity sensor …

Supercooled and glassy water

PG Debenedetti, HE Stanley - Physics Today, 2003 - pubs.aip.org
Supercooled and Glassy Water Page 1 One of the four Aristotelian elements, water has played
a central role in scientific thought for millennia.To the physical scientist it is a continuing source …

Effect of environment on hydrogen bond dynamics in liquid water

A Luzar, D Chandler - Physical review letters, 1996 - APS
In a series of molecular dynamics calculations we simulate the dynamics of forming and
breaking a hydrogen bond in liquid water at room temperature. We show that this dynamics …

Resolving the hydrogen bond dynamics conundrum

A Luzar - The Journal of Chemical Physics, 2000 - pubs.aip.org
This paper analyzes dynamic properties of hydrogen bonds in liquid water. We use
molecular dynamics simulation to calculate different probability densities that govern the …

A systematic study of water models for molecular simulation: derivation of water models optimized for use with a reaction field

D Van der Spoel, PJ Van Maaren… - The Journal of chemical …, 1998 - pubs.aip.org
We have performed long molecular dynamics simulations of water using four popular water
models, namely simple point charge (SPC), extended simple point charge (SPC/E), and the …

New insights into the role of water in biological function: Studying solvated biomolecules using terahertz absorption spectroscopy in conjunction with molecular …

V Conti Nibali, M Havenith - Journal of the American Chemical …, 2014 - ACS Publications
In life science, water is the ubiquitous solvent, sometimes even called the “matrix of life”.
There is increasing experimental and theoretical evidence that solvation water is not a …