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A continuous mixture of two different dimers in liquid water

Author
Pardo, L.; Henao, A.; Busch, S.; Guardia, E.; Tamarit, J. Ll.
Type of activity
Journal article
Journal
Physical chemistry chemical physics
Date of publication
2014-01-01
Volume
16
Number
44
First page
24479
Last page
24483
DOI
https://doi.org/10.1039/c4cp03664f Open in new window
Project funding
Dinámica en sólidos desordenados
SIMULACION A NANOESCALA DE FASES CONDENSADAS: SALES FUNDIDAS, DISOLUCIONES IONICAS Y LÍQUIDOS MOLECULARES
Repository
http://hdl.handle.net/2117/25450 Open in new window
URL
http://pubs.rsc.org/en/content/articlepdf/2014/cp/c4cp03664f Open in new window
Abstract
It is hitherto thought that liquid water is composed of tetrahedrally coordinated molecules with an asymmetric interaction of the central molecule with neighboring molecules. Kuhne et al., Nat. Commun., 2013, 4, 1450 suggested that this asymmetry, energetic rather than geometric, is the cornerstone to reconcile the homogeneous and inhomogeneous viewpoints of liquid water. In order to investigate the geometric origin of that asymmetry, we have scrutinized Molecular Dynamics (MD) simulations of wa...
Citation
Pardo, L. [et al.]. A continuous mixture of two different dimers in liquid water. "Physical chemistry chemical physics", 01 Gener 2014, vol. 16, núm. 44, p. 24479-24483.
Group of research
CEBIM - Molecular Biotechnology Centre
CRnE - Barcelona Research Center in Multiscale Science and Engineering
GCM - Group of Characterization of Materials
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

Participants