LABORATOIRE DE PHYSIQUE THEORIQUE DE LA MATIERE CONDENSEE



 



 

Publications

  1. Dielectric behaviour of polar liquids in the far infrared spectral range : a theory.
    B. Guillot, and S. Bratos, Mol. Phys. 33, p.593 (1977).
  2. Theoretical analysis of dielectric properties of polar liquids in the far infrared spectral range.
    B. Guillot, and S. Bratos, Phys. Rev. A 16, p.424 (1977).
  3. Comparaison des fonctions de correlation mono et multimoléculaires des liquides et des solutions.
    B. Guillot, et S. Bratos, Mol. Phys. 37, p.991 (1979).
  4. Theoretical study of spectra of depolarized light scattered from dense rare-gas fluids.
    B. Guillot, S. Bratos and G. Birnbaum, Phys. Rev. A 22, p.2230 (1980).
  5. Theory of collision induced absorption in dense rare gas mixture.
    B. Guillot, S. Bratos et G. Birbaum. Mol. Phys. 44, p.1021 (1981).
  6. Theoretical investigation and experimental detection of rattling motions in atomic and molecular fluids,
    S. Bratos and. B Guillot. J. Mol. Struc. 84, p.195 (1982).
  7. Theory of collision induced line shapes : absorption and light scattering at low density.
    G. Birnbaum, B. Guillot and S. Bratos, Advances in Chemical Physics, Vol. 51, John Wiley Ed. (1982), p.49-113.
  8. Theoretical interaction of the far infrared absorption spectrum of dense nitrogen.
    B. Guillot and G. Birnbaum, J. Chem. Phys. 29, 686 (1983)
  9. Theoretical study of the far infrared absorption spectrum in molecular liquids.
    B. Guillot and G. Birnbaum, in Proceedings of the Nato Advanced Research Workshop Phenomena induced by intermolecular interactions, Ed. G. Birnbaum, Plenum Press,p. 437 (1985).
  10. Theory of collision induced light scattering and absorption in dense rare gas fluids.
    S. Bratos, B. Guillot and G. Birnbaum, ibid ref.10, p.363.
  11. Investigation of the chemical potential by molecular dynamics simulation.
    B. Guillot and Y. Guissani. Mol. Phys. 54, p.455 (1985).
  12. Chemical potential of triatomic polar liquids: a computer simulation study .
    Y. Guissani, B. Guillot and F. Sokolic, Chem. Phys. 96, p.271 (1985).
  13. Molecular dynamics simulations of thermodynamic and structural properties of liquid .
    F. Sokolic, Y. Guissani and B. Guillot, Mol. Phys. 56, p.239 (1985).
  14. Computer simulation of liquid sulphur dioxide : comparaison of model potentials.
    F. Sokolic, Y. Guissani and B. Guillot, J. Phys. Chem. 89, p.3023 (1985).
  15. Density effects and relative diffusion in the far infrared absorption spectrum of compressed liquid nitrogen.
    Ph. Marteau , J. Obriot, F. Fondere and B. Guillot, Mol. Phys. 59 (1986).
  16. Theoretical investigation of the dip in the far infrared absorption spectrum of dense rare gas mixture.
    B. Guillot, J. Chem. Phys. 87, p.1952 (1987).
  17. The statistical theory of the ionic equilibrium of water. Basic principles and practical realization .
    S. Bratos, Y. Guissani and B. Guillot, in Chemical reactivity in Liquids, ed. by M. Moreau et P. Turq, Plenum Press, p. 5850 (1988).
  18. The statistical mechanics of the ionic equilibrium of water: A computer simulation study .
    Y. Guissani, B. Guillot and S. Bratos, J. Chem. Phys. 88, p.5850 (1988).
  19. The statistical theory of the ionic equilibrium of water. Theory and experiment ,
    B. Guillot, Y. Guissani and S. Bratos, in Synergetics, order and Chaos, ed. by M.G. Velarde, World Scientific, p. 473, (1988).
  20. Theoretical study of the three-body absorption spectrum in pure rare gas fluids,
    B. Guillot, R.D. Mountain and G. Birnbaum, Mol. Phys. 64, p.747 (1988).
  21. Far infrared absorption in nitrogen-rare gas compressed mixtures. An experimental and theoretical survey.
    B. Guillot, Ph. Marteau and J. Obriot, Mol. Phys. 65, p.765 (1988).
  22. Triplet dipoles in the absorption spectra of dense rare gas mixtures. (1) Short range interactions.
    B. Guillot, R.D. Mountain and G. Birnbaum, J. Chem. Phys. 90, p.650 (1989).
  23. Dipole moments in rare gas interactions.
    M. Krauss and B. Guillot, Chem. Phys. Lett. 158, p.142 (1989).
  24. Interaction induced absorption in simple to complex liquids,
    B. Guillot and G. Birnbaum, in Reactive and Flexible Molecules in Liquids, Ed. Th. Dorfmüller, Kluwer Academic Publishers, p.1 (1989). 
  25. Structures and energetics of ion-solvent microclusters (n=1, .,8) :, and with, , and
    B. Guillot, Y. Guissani, D. Borgis and S. Bratos, in Reactive and Flexible Molecules in Liquids, Ed. Th. Dorfmüller, Kluwer Academic Publishers, p.47 (1989).
  26. Etude par Monte Carlo de la solvatation en phase gazeuse des ions halogénures par des molécules protiques et aprotiques ,
    B. Guillot, Y. Guissani, D. Borgis et S. Bratos, dans Méthodes Théoriques en Chimie, Journal de Chimie Physique, n°/spécial SFC88, p.977 (1989).
  27. Triplet dipoles in the absorption spectra of dense rare gas fluids. (II) Long range interactions.
    B. Guillot, J. Chem. Phys. 91, p .3456 (1989).
  28. The statistical mechanics of the ionic equilibrium of water. The force law.
    S . Bratos, B. Guillot and Y. Guissani, in Static and Dynamic Properties of Liquids, ed. by M. Davidovic and A.K. Soper, Springer, Vol. 40, p.48 (1989)
  29.  Investigation of ionic solvation dynamics by far infrared spectroscopy,
    B. Guillot, Ph. Marteau and J. Obriot, in Modeling of Molecular Structures and Properties, Ed. J.L. Rivail, Elsevier, p. 363 (1990).
  30. Investigation of very fast motions in electrolytes solutions by far infrared spectroscopy,
    B. Guillot, Ph. Marteau and J. Obriot, J. Chem. Phys. 93, p.6148 (1990).
  31. Computer simulation of chemical equilibria,
    B. Guillot, Y. Guissani and S. Bratos, J. Phys.: Condensed Matter 2, supp.A, p.165 (1990).
  32. Line shapes in dense fluids ; the problem, some answers, future directions,
    B. Guillot in SpectralLine Shapes, Vol 6, AIP Series, p.453 (1990).
  33. A molecular dynamics study of the far infrared spectrum of liquid water,
    B. Guillot, J. Chem. Phys. 95, p.1543 (1991).
  34. A computer simulation study of hydrophobic hydration of rare gases and of methane. (I) Thermodynamic and structural properties.
    B. Guillot, Y. Guissani, and S. Bratos, J. Chem. Phys. 95, p.3643 (1991).
  35. Investigation of charge-transfer complexes by computer simulation. (I) Iodine in benzene solution.
    Y. Danten, B. Guillot and Y. Guissani. J. Chem. Phys. 96, p.3783 (1992).
  36. Investigation of charge-transfer complexes by computer simulation. (II) Iodine in pyridine solution,
    Y. Danten, B. Guillot, and Y. Guissani., J. Chem. Phys. 96, p.3795 (1992).
  37. Structure of liquid cyclopropane,
    M.I. Cabaco, M. Besnard, M.C. Bellissent-Funel, Y. Guissani, and B. Guillot., in Molecular Liquids : New perspectives in Physics and Chemistry, J. Teixeira-Dias ed., Kluwer Academic Publishers, NATO ASI Series C. Vol 379, p. 513 (1992).
  38. Water Solutions of non polar gases: a computer simulation.
    B. Guillot, Y. Guissani and S. Bratos, Zhurnal Fizicheskoi Khimii 67, p.30 (1993); Russian J. of Phys. Chem. 67, p.25 (1993).
  39. A computer simulation study of the liquid-vapor coexistence curve of water.
    Y. Guissani, and B. Guillot., J. chem. Phys. 98, p.8221 (1993).
  40. A computer simulation study of the temperature dependence of the hydrophobic hydration.
    B. Guillot, and Y. Guissani., J. Chem. Phys. 99, p.8075 (1993)
  41. Temperature dependence of the solubility of non polar gases in liquids.
    B. Guillot and Y. Guissani, Mol. Phys 79, p.53 (1993)
  42. Coexisting phases and criticality in NaCl by computer simulation,
    Y. Guissani, and B. Guillot, J. Chem. Phys 101, p.490 (1994).
  43. A far infrared study of water diluted in hydrophobic solvents,
    T. Tassaing, Y. Danten, M. Besnard, E. Zoidis, J. Yarwood, Y. Guissani, and B. Guillot., Mol. Phys 84, p.769 (1995).
  44. Cancellation effects in collision-induced phenomena.
    G. Birnbaum, and B. Guillot, in Collision and Interaction-Induced Spectroscopy, G.C. Tabisz and M.N. Neuman eds, Kluwer Academic Publisher, p1, (1995).
  45. Simulation of the far infrared spectrum of liquid water and steam along the coexistence curve.
    B. Guillot and Y. Guissani, in  Collision and Interaction-Induced Spectroscopy , G.C. Tabisz and M.N. Neuman eds, Kluwer Academic Publisher, p.129, (1995).
  46.  Thermodynamics and structure of hydrophobic hydration by computer simulation,
    B. Guillot and Y. Guissani, in proceedings of the 12th International Conference on the Properties of Water and Steam, H.J. White, Jr. J.V. Sengers, D.B. Neumann and J.C. Bellows eds, Begell House, p. 269 (1995).
  47. Towards a theory of coexistence and critically in real molten salts.
    B. Guillot, and Y. Guissani, Mol. Phys. 87, p.37 (1996).
  48. A numerical investigation of the liquid-vapor coexistence curve of silica.
    Y. Guissani and B. Guillot, J. Chem. Phys. 104, p.7633 (1996).
  49. The solubility of rare gases in fused silica : A numerical evaluation.
    B. Guillot and Y. Guissani, J. Chem. Phys. 105, 255 (1996).
  50. Interaction-induced dipoles and polarizabilities in diverse phenomena.
    G. Birnbaum, and B. Guillot, in Spectral Line Shapes, AIP Press, Vol 9, p.1 (1997).
  51. Evidence of dimer formation in neat liquid 1,3,5-trifluorobenzene.
    M.I.Cabaço, Y. Danten, M. Besnard, Y. Guissani, and B. Guillot, Chem. Phys. Lett .262, p.120 (1996).
  52. Boson peak and high frequency modes in amorphous silica.
    B. Guillot and Y. Guissani, Phys. Rev. Lett.78, p.2401 (1997).
  53. Neutron diffraction and molecular dynamics investigations of the temperature dependence of the local ordering in liquid cyclopropane ,
    M.I. Cabaço, Y. Danten, M. Besnard, Y. Guissani and B. Guillot, Mol Phys.90, p.817 (1997).
  54. Structural studies of liquid cyclopropane : from room temperature up to supercritical conditions ,
    M.I. Cabaço, Y. Danten, M. Besnard, M.C. Bellissent-Funel, Y. Guissani and B. Guillot, Mol. Phys.90, p.829 (1997).
  55. Neutron diffraction and molecular dynamics investigation of the structural evolution of liquid cyclopropane from the melting point up to the supercritical domain,
    M. Cabaço, Y. Danten, M. Besnard, M. Cl. Bellissent-Funel, Y. Guissani and B. Guillot, in proceedings of IAEA on Neutron Beam Research (Lisbonne, 1997), p. 98.
  56. The structure of supercritical heavy water as studied by neutron diffraction,
    M.C. Bellissent-Funel, T. Tassaing, H. Zhao, D. Beysens, Y. Guissani and B. Guillot, J. Chem. Phys.107, p.2942 (1997).
  57. A molecular dynamics study of the vibrational spectra of silica polyamorphs,
    B. Guillot and Y. Guissani, Mol. Sim.20, p.41 (1997).
  58.  Neutron diffraction and molecular dynamics study of liquid benzene and its fluorinated derivatives as a function of temperature.
    M.I, Cabaço, Y. Danten, M . Besnard, Y. Guissani and B. Guillot J. Phys. Chem. B.101, p.6977 (1997).
  59. The partial pair correlation functions of dense supercritical water,
    T. Tassaing, M.C. Bellissent-Funel, B. Guillot and Y. Guissani, Europhysics Lett.42, p.265 (1998).
  60. Transport of rare gases and molecular water in fused silica by molecular dynamics simulation,
    Y. Guissani and B. Guillot, Mol. Phys.95, p.151 (1998).
  61. Quantum effects in simulated water by the Feynman-Hibbs approach,
    B. Guillot and Y. Guissani, J. Chem. Phys 108, p.1062 (1998).
  62. Hydrogen-bonding in light and heavy water under normal and extreme conditions,
    B. Guillot and Y. Guissani, Fluid Phase Equilibria, 150-151, p.19 (1998).
  63. Structural investigations of liquid binary mixtures: neutron diffraction and molecular dynamics studies of benzene, hexafluorobenzene and 1,3,5-trifluorobenzene ,
    M.I. Cabaço, Y. Danten, M. Besnard, Y. Guissani and B. Guillot, J. Phys. Chem.102, p.10712 (1998).
  64. An Accurate Pair Potential for Simulated Water, by
    B. Guillot, and Y. Guissani, in Steam, Water, and Hydrothermal Systems : Physics and Chemistry Meeting the Needs of Industry, Proceedings of the 13th International Conference on the Porperties of Water and Steam, Ed. P.R. Tremaine, P.G.
    Hill, D.E. Irish, and P.V. Balakrishnan, (NRC Press, Ottawa, 2000).
  65. Computer Simulation of Phase Equilibria in Molten Salts: The Case of NH4Cl ,
    B. Guillot, and Y. Guissani, ibid ref. 65.
  66. How to build a better potential for water,
    B. Guillot and Y. Guissani, J. Chem.Phys. 114, p.6720 (2001).
  67. Simulation of the liquid-liquid coexistence curve of the tetrahydrofuran + water mixture in the Gibbs ensemble,
    I. Brovchenko and B. Guillot, Fluid Phase Equilibria 45/46, p.1 (2001).
  68. Chemical reactivity and phase behaviour of NH4Cl by molecular dynamics simulations.I. Solid-solid and solid-fluid equilibria,
    B. Guillot and Y. Guissani, J.Chem.Phys.116, p.2047 (2002).
  69. Chemical reactivity and phase behaviour of NH4Cl by molecular dynamics simulations. II. The liquid-vapour coexistence curve,
    Y. Guissani and B. Guillot, J. Chem. Phys.116, p.2058, (2002)
  70. A reappraisal of what we have learnt during three decades of computer simulations on water,
    B. Guillot, J. Mol. Liq. 101/1-3, p.219 (2002)
  71. Percolation of water in aqueous solution and liquid-liquid immiscibility,
    A. Oleinikova, I. Brovchenko, A. Geiger and B. Guillot, J. Chem. Phys. 117, p.3296 (2002)
  72. Polyamorphism in low temperature water: a simulation study,
    B. Guillot and Y. Guissani, J. Chem. Phys. 119, p.11740 (2003)
  73. Investigation of vapour-deposited amorphous ice and irradiated ice by molecular dynamics simulation,
    Y. Guissani and B. Guillot, J. Chem. Phys. 120, p.4366 (2004)
  74. Breaking of Henry's law for noble gas and solubility in silicate melt under pressure,
    Ph. Sarda and B. Guillot, Nature 436, p.95 (2005)
  75. The effect of compression on noble gas solubility in silicate melts and consequences for degassing at mid-ocean ridges,
    B. Guillot and Ph. Sarda, Geochimica et Cosmochimica Acta 70, p.1215 (2006)
  76. Simulated structural and thermal properties of glassy and liquid germania,
    M. Micoulaut, Y. Guissani and B. Guillot, Phys. Rev. E 73, 031504 (2006)