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Liquid water and aqueous solutions

Computer simulation of molecular motions in liquids: infrared spectra of water and heavy water. J.Martí, J.A.Padró and E.Guàrdia. Molecular Simulation, 11, 321 (1993).

 

Molecular dynamics of liquid water at 523 K. J.A.Padró, J.Martí and E.Guàrdia. Journal of Physics: Condensed Matter, 6, 2283 (1994).

 

Molecular dynamics calculation of the infrared spectra in liquid H2O-D2O mixtures. J.Martí, J.A.Padró and E.Guàrdia. Journal of Molecular Liquids, 62, 17 (1994).

 

Dielectric properties and infrared spectra of liquid water: influence of the dynamic cross correlations. J.Martí, E.Guàrdia and J.A.Padró. Journal of Chemical Physics, 101, 10883 (1994).

 

Hydrogen bonding influence on the intermolecular vibrational spectra of liquid methanol. J.Martí, J.A.Padró and E.Guàrdia. Journal of Molecular Liquids, 64, 1 (1995).

 

A Molecular Dynamics study of heavy water steam. J.Martí, J.A.Padró and E.Guàrdia. Molecular Physics, 86, 263 (1995).

 

Molecular dynamics simulation of liquid water along the coexistence curve: hydrogen bonds and vibrational spectra. J.Martí, J.A.Padró and E.Guàrdia. Journal of Chemical Physics, 105, 639 (1996).

 

Intermolecular vibrational spectra of water in ionic aqueous solutions. E.Guàrdia, J.A.Padró and J.Martí. In: Femotochemistry. Ultrafast chemical and physical processes in molecular systems. M.Chergui (ed). World Scientific. Singapore, 1996.

 

Rotation-vibration coupling in liquid water investigated by molecular dynamics simulation. J.Martí and J.A.Padró. Molecular Simulation, 23, 55 (1999).


An interpretation of the low-frequency spectrum of liquid water. J.A.Padró and J.Martí. Journal of Chemical Physics 118, 452 (2003).

 

Response to Comment on “An interpretation of the low-frequency spectrum of liquid water [Journal of Chemical Physics 118, 452 (2003)]”. J.A.Padró and J.Martí. Journal of Chemical Physics 120, 1659 (2004).

Guàrdia, E.; Martí, J.; García-Tarrés, L.; Laria, D.. (2005). A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions . JOURNAL OF MOLECULAR LIQUIDS , 117 (1-3) : 63-67. ISSN: 0167-7322

Martí, J.; Lisichkin, Y.; Saharova, L.; Novikov, A.. (2005). Temperature dependence of the generalized frequency distribution of water molecules: comparison of experiments and molecular dynamics simulations . MOLECULAR SIMULATION , 31 (14-15) : 1019-1025. ISSN: 0892-7022

Guàrdia, E.; Martí, J.; Laria, D.. (2006). Hydrogen bond structure and dynamics in aqueous electrolytes at ambient and supercritical conditions. JOURNAL OF PHYSICAL CHEMISTRY B , 110 (12) : 6332-6338. ISSN: 1520-6106

Guàrdia, E.; Laria, D.; Martí J.. (2006). Reorientational dynamics of water in aquoeus ionic solutions at supercritical conditions: a compter simulations study. JOURNAL OF MOLECULAR LIQUIDS , 125 (2-3) : 107-114. ISSN: 0167-7322