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A continuous mixture of two different dimers in liquid water

Autor
Pardo, L.; Henao, A.; Busch, S.; Guardia, E.; Tamarit, J. Ll.
Tipus d'activitat
Article en revista
Revista
Physical chemistry chemical physics
Data de publicació
2014-01-01
Volum
16
Número
44
Pàgina inicial
24479
Pàgina final
24483
DOI
https://doi.org/10.1039/c4cp03664f Obrir en finestra nova
Projecte finançador
Dinámica en sólidos desordenados
SIMULACION A NANOESCALA DE FASES CONDENSADAS: SALES FUNDIDAS, DISOLUCIONES IONICAS Y LÍQUIDOS MOLECULARES
Repositori
http://hdl.handle.net/2117/25450 Obrir en finestra nova
URL
http://pubs.rsc.org/en/content/articlepdf/2014/cp/c4cp03664f Obrir en finestra nova
Resum
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...
Citació
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.
Grup de recerca
CEBIM - Centre de Biotecnologia Molecular
CRnE - Centre de Recerca en Ciència i Enginyeria Multiescala de Barcelona
GCM - Grup de Caracterització de Materials
SIMCON - First-principles approaches to condensed matter physics: quantum effects and complexity

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