Elvira Guardia

Prof. Elvira Guardia

orcid

Research Focus & Metrics

Academic Career Length

43Years (1984-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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8 July 1996 in The Journal of Chemical Physics
Verified
Journal Article
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Jordi MartiJordi Marti
Jordi Marti
JPJ. A. Padro
J. A. Padro
EGElvira Guardia
Elvira Guardia
Structure and dynamic properties of liquid water at temperatures between 298 and 523 K and densities between 0.75 and 1.20 g/cm3 have been investigated by molecular dynamics simulation. A flexible simple point charge potential has been asssumed for interactions. The hydrogen bonding structure in the different simulated states as well as the influence of the hydrogen bonds on the dynamic properties (self‐diffusion coefficients, vibrational spectra) is discussed. Special attention is paid to the intermolecular vibrational spectrum (10–400 cm−1). It has been corroborated that the band around 200 cm−1 can be attributed to intermolecular O–O stretching vibrations of pairs of H‐bonded bounded molecules. On the contrary, molecular dynamics results indicate that the band close to 50 cm−1 is independent of the existence of hydrogen bonds but depends on the density and temperature of the system. It is suggested that it is simply associated with vibrations of molecules in the cage formed by their neighbors. Shifts of librational and stretching bands as a function of the thermodynamic state are highly correlated with changes in the percentage of hydrogen bonded molecules.

1 October 1997 in Journal of Molecular Structure
Verified
Journal Article
Closed access
JPJ.A. Padró
J.A. Padró
LSL. Saiz
L. Saiz
EGElvira Guardia
Elvira Guardia

1 August 1991 in Chemical Physics
Verified
Journal Article
Closed access
EGElvira Guardia
Elvira Guardia
RRR. Rey
R. Rey
JPJ.A. Padró
J.A. Padró

1 January 1997 in The Journal of Physical Chemistry B
Verified
Journal Article
Closed access
LSL. Saiz
L. Saiz
JPJ. A. Padró
J. A. Padró
EGElvira Guardia
Elvira Guardia

1 March 2005 in Journal of Molecular Liquids
Verified
Journal Article
Closed access
EGElvira Guardia
Elvira Guardia
Jordi MartiJordi Marti
Jordi Marti
LGLino García-Tarrés
Lino García-Tarrés
DLDaniel Laria
Daniel Laria

1 April 2002 in Journal of Molecular Liquids
Verified
Journal Article
Closed access
EGElvira Guardia
Elvira Guardia
Jordi MartiJordi Marti
Jordi Marti
JPJ.A. Padró
J.A. Padró
LSL. Saiz
L. Saiz
AKAndrei Komolkin
Andrei Komolkin