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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 67, 1989 - Issue 1
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Original Articles

Raman spectra of water in the translational and librational regions

III. Temperature evolution by computer simulation with the TIP4P potential

M.A. Ricci Dipartimento di Fisica, Universita' della Calabria, Rende (CS), Italy
,
G. Ruocco Dipartimento di Fisica, Universita' di L'Aquila, L'Aquila, Italy
&
M. Sampoli Dipartimento di Energetica, Universita' di Firenze, v. di S. Marta 3, 50139, Firenze, Italy
Pages 19-31 | Received 20 Sep 1988, Accepted 11 Nov 1988, Published online: 26 Oct 2007

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J. Martí & J.A. Padró. (1999) Rotation-Vibration Coupling in Liquid Water Investigated by Molecular Dynamics Simulation. Molecular Simulation 23:1, pages 55-62.
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J. Martí, J.A. Padró & E. Guardia. (1993) Computer Simulation of Molecular Motions in Liquids: Infrared Spectra of Water and Heavy Water. Molecular Simulation 11:6, pages 321-336.
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Francesco Sciortino & Giorgina Corongiu. (1993) Raman and infrared spectra of hexagonal ice between 0 and 400 cm-1 . Molecular Physics 79:3, pages 547-558.
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A. De Santis & A. Gregori. (1990) Induced contributions in the Rayleigh band of gaseous H2O. Molecular Physics 69:4, pages 715-734.
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Articles from other publishers (41)

Keiichiro Shiraga, Yasuhiro Fujii, Akitoshi Koreeda, Koichiro Tanaka, Takashi Arikawa & Yuichi Ogawa. (2021) Dynamical Collectivity and Nuclear Quantum Effects on the Intermolecular Stretching Mode of Liquid Water. The Journal of Physical Chemistry B 125:6, pages 1632-1639.
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Lulu Huang, Sam G. Lambrakos, Andrew Shabaev, Noam Bernstein & Lou Massa. (2015) Molecular analysis of water clusters: Calculation of the cluster structures and vibrational spectrum using density functional theory. Comptes Rendus Chimie 18:5, pages 516-524.
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Anatoli A. Milischuk & Branka M. Ladanyi. (2014) Polarizability anisotropy relaxation in nanoconfinement: Molecular simulation study of water in cylindrical silica pores. The Journal of Chemical Physics 141:18.
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Josef Kapitán, Martin Dračínský, Jakub Kaminský, Ladislav Benda & Petr Bouř. (2010) Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water. The Journal of Physical Chemistry B 114:10, pages 3574-3582.
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Milton T. Sonoda, S�rgio M. Vechi & Munir S. Skaf. (2005) A simulation study of the optical Kerr effect in liquid water. Physical Chemistry Chemical Physics 7:6, pages 1176.
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Michel Dupuis & Misako Aida. 2002. Encyclopedia of Computational Chemistry. Encyclopedia of Computational Chemistry.
Renato Torre, Paolo Bartolini & Roberto Righini. (2004) Structural relaxation in supercooled water by time-resolved spectroscopy. Nature 428:6980, pages 296-299.
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Alberto De Santis, Alessandro Ercoli & Dario Rocca. (2004) Comment on “An interpretation of the low-frequency spectrum of liquid water” [J. Chem. Phys. 118 , 452 (2003)] . The Journal of Chemical Physics 120:3, pages 1657-1658.
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Misako Aida & Michel Dupuis. (2003) IR and Raman intensities in vibrational spectra from direct ab initio molecular dynamics: D2O as an illustration. Journal of Molecular Structure: THEOCHEM 633:2-3, pages 247-255.
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Joan Àngel Padró & Jordi Martı́. (2003) An interpretation of the low-frequency spectrum of liquid water. The Journal of Chemical Physics 118:1, pages 452-453.
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Kathrin Winkler, Jörg Lindner, Helge Bürsing & Peter Vöhringer. (2000) Ultrafast Raman-induced Kerr-effect of water: Single molecule versus collective motions. The Journal of Chemical Physics 113:11, pages 4674-4682.
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Alberto De Santis, Alessandro Ercoli & Dario Rocca. (1999) Translational Density of States Derived from Short-Time Relative Motions. Physical Review Letters 82:17, pages 3452-3455.
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Badry D. Bursulaya & Hyung J. Kim. (1998) Spectroscopic and dielectric properties of liquid water: A molecular dynamics simulation study. The Journal of Chemical Physics 109:12, pages 4911-4919.
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Bertrand Guillot & Yves Guissani. (1998) Quantum effects in simulated water by the Feynman–Hibbs approach. The Journal of Chemical Physics 108:24, pages 10162-10174.
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Shinji Saito & Iwao Ohmine. (1997) Third order nonlinear response of liquid water. The Journal of Chemical Physics 106:12, pages 4889-4893.
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Daniela Di Cola, Antonio Deriu, Marco Sampoli & Alessandro Torcini. (1996) Proton dynamics in supercooled water by molecular dynamics simulations and quasielastic neutron scattering. The Journal of Chemical Physics 104:11, pages 4223-4232.
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A. Fontana, M. Nardone & M. A. Ricci. (1995) Depolarized Rayleigh scattering in water up to supercritical conditions. The Journal of Chemical Physics 102:18, pages 6975-6981.
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Shinji Saito & Iwao Ohmine. (1995) Translational and orientational dynamics of a water cluster (H2O)108 and liquid water: Analysis of neutron scattering and depolarized light scattering. The Journal of Chemical Physics 102:9, pages 3566-3579.
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K. L. C. Hunt & X. Li. 1995. Collision- and Interaction-Induced Spectroscopy. Collision- and Interaction-Induced Spectroscopy 61 76 .
R. H. Tromp, P. Postorino, G. W. Neilson, M. A. Ricci & A. K. Soper. (1994) Neutron diffraction studies of H2O/D2O at supercritical temperatures. A direct determination of g HH( r ), g OH( r ), and g OO( r ) . The Journal of Chemical Physics 101:7, pages 6210-6215.
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Minhaeng Cho, Graham R. Fleming, Shinji Saito, Iwao Ohmine & Richard M. Stratt. (1994) Instantaneous normal mode analysis of liquid water. The Journal of Chemical Physics 100:9, pages 6672-6683.
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Srikanth Sastry, H. Eugene Stanley & Francesco Sciortino. (1994) Low frequency depolarized Raman spectra in water: Results from normal mode analysis. The Journal of Chemical Physics 100:7, pages 5361-5366.
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Francesco Sciortino & Srikanth Sastry. (1994) Sound propagation in liquid water: The puzzle continues. The Journal of Chemical Physics 100:5, pages 3881-3893.
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M. A. Ricci. 1994. Hydrogen Bond Networks. Hydrogen Bond Networks 205 220 .
Srikanth Sastry, H. Eugene Stanley & Francesco Sciortino. 1994. Hydrogen Bond Networks. Hydrogen Bond Networks 197 203 .
G. Corongiu & E. Clementi. 1994. Computational Approaches in Supramolecular Chemistry. Computational Approaches in Supramolecular Chemistry 1 29 .
G. Ruocco, M. Sampoli, A. Torcini & R. Vallauri. (1993) Molecular dynamics results for stretched water. The Journal of Chemical Physics 99:10, pages 8095-8104.
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Enrico Clementi, Giorgina Corongiu & Francesco Sciortino. (1993) Liquid and solid phases of water: an extensive molecular dynamics simulation with an ab initio polarizable potential. Journal of Molecular Structure 296:3, pages 205-213.
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Wayne B. Bosma, Laurence E. Fried & Shaul Mukamel. (1993) Simulation of the intermolecular vibrational spectra of liquid water and water clusters. The Journal of Chemical Physics 98:6, pages 4413-4421.
Crossref
M. Nardone, M.A. Ricci & P. Benassi. (1992) Brillouin and Raman scattering from liquid water. Journal of Molecular Structure 270, pages 287-299.
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G. Ruocco, M. Sampoli & R. Vallauri. (1992) Analysis of the network topology in liquid water and hydrogen sulphide by computer simulation. The Journal of Chemical Physics 96:8, pages 6167-6176.
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R. Knochenmuss & S. Leutwyler. (1992) Structures and vibrational spectra of water clusters in the self-consistent-field approximation. The Journal of Chemical Physics 96:7, pages 5233-5244.
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Giancarlo Ruocco & Marco Sampoli. (1992) Self-diffusion in liquid water: a geometrical approach. Chemical Physics Letters 188:3-4, pages 332-337.
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G. Ruocco, M. Sampoli & R. Vallauri. (1991) Molecular dynamics simulations of liquid water: Voronoi polyhedra and network topology. Journal of Molecular Structure 250:2-4, pages 259-270.
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G. Ruocco & M. Sampoli. (1991) Geometrical aspects of self diffusion in liquid water. Journal of Molecular Structure 250:2-4, pages 171-179.
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Daniel Kivelson, Werner Steffen, Gerhard Meier & Adam Patkowski. (1991) A possible molecular structural indicator of the liquid–glass transition. The Journal of Chemical Physics 95:3, pages 1943-1949.
Crossref
M A Ricci, G Signorelli & V Mazzacurati. (1990) Raman spectra of water in the translational and librational regions. Journal of Physics: Condensed Matter 2:S, pages SA183-SA187.
Crossref
V. Mazzacurati, A. Nucara, M. A. Ricci, G. Ruocco & G. Signorelli. (1990) High-resolution low-frequency Raman spectra of liquid H2O and D2O. The Journal of Chemical Physics 93:11, pages 7767-7773.
Crossref
J. L. Rousset, E. Duval & A. Boukenter. (1990) Dynamical structure of water: Low-frequency Raman scattering from a disordered network and aggregates. The Journal of Chemical Physics 92:4, pages 2150-2154.
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R. Frattini, M. A. Ricci, G. Ruocco & M. Sampoli. (1990) Temperature evolution of single particle correlation functions of liquid water. The Journal of Chemical Physics 92:4, pages 2540-2547.
Crossref
M. A. Ricci, D. Rocca, G. Ruocco & R. Vallauri. (1989) Theoretical and computer-simulation study of the density fluctuations in liquid water. Physical Review A 40:12, pages 7226-7238.
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