Raffaele Guido Della Valle - Publications


    1979   '80   '81   '82   '83   '84   '85   '86   '87   '88   '89   '90   '91   '92   '93   '94   '95   '96   '97   '98   '99   2000   '01   '02   '03   '04   '05   '06   '07   '08   '09   '10   '11   '12   '13   '14   '15   '16   '17  
    1979
  1. R.G. Della Valle, P.F. Fracassi, V. Schettino, S. Califano
    Anharmonic interactions in molecular crystals. Two-phonon absorption in crystalline OCS.
    Chem. Phys. 43, 385-393 (1979)
    [ pdf file (Username & Password required) - dx.doi.org ]

  2. R.G. Della Valle, P.F. Fracassi, R. Righini, S. Califano, S.H. Walmsley
    Phonon dispersion curves and phonon lifetimes in crystalline ammonia.
    Chem. Phys. 44, 189-196 (1979)
    [ pdf file (Username & Password required) - dx.doi.org ]

  3. 1981
  4. R.G. Della Valle, P.F. Fracassi, S.H. Walmsley
    Theory of ultrasonic absorption in anharmonic molecular crystals.
    Chem. Phys. 62, 231-237 (1981)
    [ pdf file (Username & Password required) - dx.doi.org ]

  5. 1983
  6. R.G. Della Valle, P.F. Fracassi, R. Righini, S. Califano
    Anharmonic processes in molecular crystals. Calculation of the anharmonic shifts, and energy decay processes in crystalline naphthalene.
    Chem. Phys. 74, 179-195 (1983)
    [ pdf file (Username & Password required) - dx.doi.org ]

  7. R.G. Della Valle, P.F. Fracassi
    I Fononi.
    Le Scienze (Italian Edition of Scientific American) 177, 50-57 (Maggio 1983)
    [ pdf file - download.kataweb.it ]

  8. R. Righini, P.F. Fracassi, R.G. Della Valle
    Calculated lifetime and decay mechanism of the 991 cm-1 mode in crystalline benzene at 1.6 K.
    Chem. Phys. Lett. 97, 308-312 (1983)
    [ pdf file (Username & Password required) - dx.doi.org ]

  9. 1984
  10. P.F. Fracassi, M.L. Klein, R.G. Della Valle
    Lattice dynamics of ionic molecular crystals in the rigid ion approximation, phases II and III of sodium superoxide.
    Can. J. Phys. 62, 54-64 (1984)
    [ pdf file (Username & Password required) - www.nrcresearchpress.com ]

  11. R.G. Della Valle, G.S. Pawley
    Molecular dynamics simulation of crystalline naphthalene.
    Acta Cryst. A 40, 297-305 (1984)
    [ various file formats - dx.doi.org ]

  12. P.F. Fracassi, R.G. Della Valle
    Potential models and torsional stability in molecular crystals.
    Chem. Phys. Lett. 104, 435-439 (1984)
    [ pdf file (Username & Password required) - dx.doi.org ]

  13. R.G. Della Valle, P.F. Fracassi
    Polar modes in molecular crystals: Ewald splitting of infrared and Raman lines.
    Can. J. Phys. 62, 1237-1247 (1984)
    [ pdf file (Username & Password required) - www.nrcresearchpress.com ]

  14. 1985
  15. L. Angeloni, R.G. Della Valle, P.F. Fracassi
    Theoretical analysis of resonant Raman scattering: Simulation of lineshapes and excitation profiles.
    Chem. Phys. 94, 351-364 (1985)
    [ pdf file (Username & Password required) - dx.doi.org ]

  16. P.F. Fracassi, L. Angeloni, R.G. Della Valle
    Effects of dampings and dephasings in resonance Raman spectroscopy.
    Chem. Phys. Lett. 115, 428-433 (1985)
    [ pdf file (Username & Password required) - dx.doi.org ]

  17. P.F. Fracassi, R. Righini, R.G. Della Valle
    Lattice dynamics of solid alpha-carbon monoxide.
    Chem. Phys. 96, 361-369 (1985)
    [ pdf file (Username & Password required) - dx.doi.org ]

  18. G. Signorini, P.F. Fracassi, R. Righini, R.G. Della Valle
    Energy decay mechanism and anharmonic lattice dynamics: The case of solid nitrogen.
    Chem. Phys. 100, 315-329 (1985)
    [ pdf file (Username & Password required) - dx.doi.org ]

  19. 1986
  20. R.G. Della Valle, P. Foggi, P.F. Fracassi
    Transient behaviour of coherent and incoherent processes in a three level system.
    Chem. Phys. 103, 287-294 (1986)
    [ pdf file (Username & Password required) - dx.doi.org ]

  21. L. Angeloni, P.F. Fracassi, R.G. Della Valle
    Non perturbative theory of electronic resonance coherent Raman scattering (CARS, CRRS).
    J. Mol. Struct. 142, 489-492 (1986)
    [ pdf file (Username & Password required) - dx.doi.org ]

  22. 1987
  23. P.F. Fracassi, L. Angeloni, R.G. Della Valle
    Non-perturbative theory of four-wave light scattering in strong fields.
    Chem. Phys. 115, 169-186 (1987)
    [ pdf file (Username & Password required) - dx.doi.org ]

  24. R.G. Della Valle, A. Brillante
    A dynamical model of excimer instability in molecular crystals.
    Chem. Phys. 116, 141-149 (1987)
    [ various file formats - dx.doi.org ]

  25. R.G. Della Valle, F. Zerbetto, A. Brillante, K. Syassen
    The effect of pressure on the electronic spectra of anthracene derivatives.
    J. Lumin. 38, 311-313 (1987)
    [ various file formats - dx.doi.org ]

  26. R.G. Della Valle, G. Cardini
    Recursive computation of many-phonon densities of states.
    Phys. Rev. Lett. 59, 2196-2198 (1987)
    [ various file formats - dx.doi.org ]

  27. 1988
  28. A. Brillante, R.G. Della Valle, K. Strössner, K. Syassen
    Excimer luminescence of anthracene derivatives at high pressure.
    J. Lumin. 40 & 41, 278-279 (1988)
    [ pdf file (Username & Password required) - dx.doi.org ]

  29. R.G. Della Valle
    Local-mode to normal-mode Hamiltonian transformation for X-H stretchings.
    Mol. Phys. 63, 611-621 (1988)
    [ various file formats - dx.doi.org ]

  30. W. Caminati, B. Velino, R.G. Della Valle
    Rotational spectra of several vibrational excited states of axial and equatorial cyanocyclobutane and potential energy function of the ring-puckering.
    J. Mol. Spectr. 129, 284-292 (1988)
    [ pdf file (Username & Password required) - dx.doi.org ]

  31. R.G. Della Valle, R. Righini
    Linewidth of the 991 cm-1 mode in benzene at high pressures.
    Chem. Phys. Lett. 148, 45-51 (1988)
    [ various file formats - dx.doi.org ]

  32. A. Brillante, R.G. Della Valle, K. Syassen
    High pressure Raman spectra and pressure-induced phase transition of beta-9,10-dichloroanthracene.
    J. Chem. Phys. 89, 3163-3167 (1988)
    [ various file formats - dx.doi.org - link.aip.org ]

  33. 1989
  34. R.G. Della Valle
    Lattice dynamics of YBa2Cu3O6 and YBa2Cu3O7, a rigid ion model.
    Physica C 162-164, 1429-1430 (1989)
    [ various file formats - dx.doi.org ]

  35. 1990
  36. R. Bini, P. Foggi, R.G. Della Valle
    High overtones investigation of non-equivalent C-H bonds in pyridine and 2,6-lutidine by thermal lensing spectroscopy.
    J. Mol. Struct. 218, 117-122 (1990)
    [ pdf file (Username & Password required) - dx.doi.org ]

  37. 1991
  38. R. Bini, P. Foggi, R.G. Della Valle
    Vibrational analysis of the C-H stretching overtones in liquid pyridine and 2,6-lutidine.
    J. Phys. Chem. 95, 3027-3031 (1991)
    [ pdf file (Username & Password required) - dx.doi.org ]

  39. R.G. Della Valle, H.C. Andersen
    Test of a pairwise additive ionic potential model for silica.
    J. Chem. Phys. 94, 5056-5060 (1991)
    [ various file formats - dx.doi.org - link.aip.org ]

  40. R.G. Della Valle
    Lattice stability of YBa2Cu3O6 and YBa2Cu3O7.
    Physica C 185-189, 1679-1680 (1991)
    [ various file formats - dx.doi.org ]

  41. R.G. Della Valle, H.C. Andersen
    Molecular dynamics simulation of amorphous silica.
    in Molecular Dynamics Simulations 103, 67-77 (1991), Editor F. Yonezawa, Springer Series in Solid-State Sciences
    [ tex file - other file formats ]

  42. 1992
  43. R.G. Della Valle, H.C. Andersen
    Molecular dynamics simulation of silica liquid and glass.
    J. Chem. Phys. 97, 2682-2689 (1992)
    [ various file formats - dx.doi.org - link.aip.org ]

  44. R.G. Della Valle, A. Brillante
    Stability under pressure of excimers of anthracene derivatives.
    J. Lumin. 53, 110-112 (1992)
    [ various file formats - dx.doi.org ]

  45. R.G. Della Valle, P. Procacci
    Equation of motion for the Green's function in anharmonic solids.
    Phys. Rev. B 46, 6141-6149 (1992)
    [ various file formats - dx.doi.org ]

  46. 1993
  47. P. Procacci, G.F. Signorini, R.G. Della Valle
    Efficient calculation of high order self-energy corrections to the phonon linewidths: Application to alpha-nitrogen.
    Phys. Rev. B 47, 11124-11133 (1993)
    [ various file formats - dx.doi.org ]

  48. R.G. Della Valle, D. Gazzillo, P. Pastore
    Non-additive Lennard-Jones model for the structure of Ni33Y77 metallic glass: Integral equation and molecular dynamics calculations.
    Materials Science and Engineering A 165, 183-187 (1993)
    [ tex file - other file formats - dx.doi.org ]

  49. D. Gazzillo, R.G. Della Valle
    An improved representation for the high-density structure of Lennard-Jones systems: From liquid towards glass.
    J. Chem. Phys. 99, 6915-6922 (1993)
    [ various file formats - dx.doi.org - link.aip.org ]

  50. 1994
  51. R.G. Della Valle, E. Venuti
    A molecular dynamics study of the vibrational properties of silica glass.
    Chem. Phys. 179, 411-419 (1994)
    [ various file formats - dx.doi.org ]

  52. A. Brillante, M. Cau, R.G. Della Valle, E. Venuti
    The effect of pressure on the photodimerization of 7-methoxycumarin crystal.
    Chem. Phys. Lett. 218, 568-573 (1994)
    [ pdf file (Username & Password required) - dx.doi.org ]

  53. R.G. Della Valle, D. Gazzillo, R. Frattini, G. Pastore
    Microstructural analysis of simulated Ni33Y77 glass.
    Phys. Rev. B 49, 12625-12632 (1994)
    [ various file formats - dx.doi.org ]

  54. R.G. Della Valle, A. Brillante
    Lattice dynamics of halogenated anthracene derivatives under pressure.
    J. Chem. Phys. 100, 7640-7647 (1994)
    [ various file formats - dx.doi.org - link.aip.org ]

  55. R. Frattini, R.G. Della Valle
    Molecular dynamics simulation of glassy Cu33Y77.
    Phys. Rev. B 50, 3620-3624 (1994)
    [ various file formats - dx.doi.org ]

  56. 1995
  57. A. Brillante, R.G. Della Valle, R. Farina, E. Venuti
    Pressure-induced phase transitions in 9,10-anthracene derivatives: Anthraquinone.
    Chem. Phys. 191, 177-184 (1995)
    [ various file formats - dx.doi.org ]

  58. R.G. Della Valle, E. Venuti, A. Brillante
    Pressure and temperature effects in lattice dynamics: The case of naphthalene.
    Chem. Phys. 198, 79-89 (1995)
    [ various file formats - dx.doi.org ]

  59. A. Brillante, R.G. Della Valle, E. Venuti
    Raman phonon spectra and lattice dynamics of 7-methoxycumarin under pressure.
    Chem. Phys. Lett. 246, 619-625 (1995)
    [ various file formats - dx.doi.org ]

  60. 1996
  61. R.G. Della Valle, E. Venuti, A. Brillante
    Quasi harmonic lattice dynamics: The phase diagram of benzene.
    Chem. Phys. 202, 231-241 (1996)
    [ various file formats - dx.doi.org ]

  62. R.G. Della Valle, E. Venuti, A. Brillante
    Quasi harmonic lattice dynamics vs molecular dynamics: thermal expansion of solid argon.
    Gazz. Chim. Ital. 126, 615-617 (1996)
    [ various file formats ]

  63. R.G. Della Valle, E. Venuti
    High pressure densification of silica glass: A molecular dynamics simulation.
    Phys. Rev. B 54, 3809-3816 (1996)
    [ various file formats - dx.doi.org ]

  64. 1997
  65. A. Brillante, R.G. Della Valle, A. Girlando, A. Painelli, E. Venuti
    Intermolecular phonons in BEDT-TTF crystals.
    Synth. Metals 85, 1561-1562 (1997)
    [ various file formats - dx.doi.org ]

  66. R.G. Della Valle, G.F. Signorini, P. Procacci
    Vibrational density of states and homogeneous linewidth in molecular crystals: Many phonon processes in nitrogen.
    Phys. Rev. B 55, 14855-14864 (1997)
    [ various file formats - dx.doi.org ]

  67. A. Brillante, R.G. Della Valle, C. Ulrich, K. Syassen
    Effect of pressure on lattice modes and electronic excitations of 9,10-diiodoanthracene crystals.
    J. Chem. Phys. 107, 4628-4634 (1997)
    [ various file formats - dx.doi.org - link.aip.org ]

  68. A. Brillante, R.G. Della Valle, G. Visentini, A. Girlando
    Lattice phonons in neutral BEDT-TTF crystal.
    Chem. Phys. Lett. 274, 478-484 (1997)
    [ various file formats - dx.doi.org ]

  69. 1998
  70. R.G. Della Valle, E. Venuti
    Quasi harmonic lattice dynamics and molecular dynamics calculations for the Lennard-Jones solids.
    Phys. Rev. B 58, 206-212 (1998)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  71. 1999
  72. R.G. Della Valle, A. Brillante, G. Visentini, A. Girlando
    Structure and phonons of alpha-ET2+I3- crystals.
    Physica B: Condensed Matter 265, 195-198 (1999)
    [ various file formats - dx.doi.org ]

  73. A. Brillante, R.G. Della Valle, C. Polizzi, K. Syassen
    Pressure-induced phase transitions in quasi-one-dimensional anthracene derivatives.
    Physica B: Condensed Matter 265, 199-202 (1999)
    [ various file formats - dx.doi.org ]

  74. R. Chelli, P. Procacci, G. Cardini, R.G. Della Valle, S. Califano
    Glycerol condensed phases, Part I. A molecular dynamics study.
    Phys. Chem. Chem. Phys. 1, 871-877 (1999)
    [ various file formats - dx.doi.org ]

  75. E. Venuti, L. Halonen, R.G. Della Valle
    High dimensional anharmonic potential energy surfaces: The case of methane.
    J. Chem. Phys. 110, 7339-7347 (1999)
    [ various file formats - dx.doi.org - link.aip.org ]

  76. R.G. Della Valle, A. Brillante, G. Visentini, A. Girlando
    Lattice dynamics and e-ph coupling in BEDT-TTF superconductors.
    Synth. Metals 103, 2083 (1999)
    [ various file formats - dx.doi.org ]

  77. R.G. Della Valle, D. Gazzillo
    Towards an effective potential for the monomer, dimer, hexamer, solid and liquid forms of hydrogen fluoride.
    Phys. Rev. B 59, 13699-13706 (1999)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  78. D. Gazzillo, A. Giacometti, R.G. Della Valle, E. Venuti, F. Carsughi
    A scaling approximation for structure factors in the integral equation theory of polydisperse nonionic colloidal fluids.
    J. Chem. Phys. 111, 7636-7645 (1999)
    [ various file formats - xxx.lanl.gov - dx.doi.org - link.aip.org ]

  79. R.G. Della Valle, L. Halonen, E. Venuti
    Molecular anharmonicity - A computer aided treatment.
    J. Comput. Chem. 20, 1716-1730 (1999)
    [ various file formats - dx.doi.org - supplementary tar.gz file - other file formats ]

  80. 2000
  81. A. Girlando, M. Masino, G. Visentini, A. Brillante, R.G. Della Valle, E. Venuti
    Electron-phonon coupling in BEDT-TTF (ET) superconductors.
    Synth. Metals 109, 13-17 (2000)
    [ various file formats - dx.doi.org ]

  82. L. Farina, R.G. Della Valle, A. Brillante
    Raman phonon spectra and lattice dynamics of 9,10-dinitroanthracene under pressure.
    High Pressure Research 18, 233-238 (2000)
    [ dx.doi.org ]

  83. L. Farina, A. Brillante, R.G. Della Valle
    Pressure and temperature effects in lattice dynamics: 1,4-dibromonaphthalene.
    Chem. Phys. 262, 437-444 (2000)
    [ various file formats - dx.doi.org ]

  84. R.G. Della Valle, A. Brillante, E. Venuti, L. Palazzi
    Coupling between intramolecular and lattice vibrations in solid para-diiodobenzene.
    Chem. Phys. Lett. 325, 599-604 (2000)
    [ various file formats - dx.doi.org ]

  85. I. López-Tocón, R.G. Della Valle, M. Becucci, E. Castellucci, J.C. Otero
    The NH2 inversion potential in the S0 and S1 electronic states of aniline: Fit to the (ro-) vibrational data and comparison with ab initio and density functional results.
    Chem. Phys. Lett. 327, 45-53 (2000)
    [ various file formats - dx.doi.org ]

  86. R.G. Della Valle, P. Procacci
    Computer-aided series expansion for phonon self-energy.
    J. Comput. Phys. 165, 428-436 (2000)
    [ various file formats - dx.doi.org - supplementary tar.gz file - other file formats ]

  87. A. Girlando, M. Masino, G. Visentini, R.G. Della Valle, A. Brillante, E. Venuti
    Lattice dynamics and electron-phonon coupling in beta-(BEDT-TTF)2I3 organic superconductor.
    Phys. Rev. B 62, 14476-14486 (2000)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  88. L. Farina, L. Palazzi, E. Venuti, R.G. Della Valle, A. Brillante
    High pressure Raman spectra of p-diiodobenzene.
    J. Phys. Chem. A 104, 11070-11074 (2000)
    [ various file formats - dx.doi.org ]

  89. 2001
  90. E. Venuti, R.G. Della Valle, L. Farina, A. Brillante, C. Vescovi, A. Girlando
    Temperature dependence of structure and phonons of alpha- and beta-TTF crystals.
    Phys. Chem. Chem. Phys. 3, 4170-4175 (2001)
    [ various file formats - dx.doi.org ]

  91. R.G. Della Valle, E. Venuti, L. Farina, A. Brillante
    Coupling between lattice and intramolecular modes in 9,10-dimethylanthracene: Raman spectra under pressure and Quasi Harmonic Lattice Dynamics calculations.
    Chem. Phys. 273, 197-206 (2001)
    [ various file formats - dx.doi.org ]

  92. 2002
  93. E. Venuti, R.G. Della Valle, A. Brillante, M. Masino, A. Girlando
    Probing pentacene polymorphs by lattice dynamics calculations.
    J. Am. Chem. Soc. 124, 2128-2129 (2002)
    [ various file formats - dx.doi.org ]

  94. A. Girlando, M. Masino, R.G. Della Valle
    Electron-intermolecular phonon coupling in kappa-phase BEDT-TTF organic superconductors.
    in Molecular Low Dimentional and Nanostructured Materials for Advanced Applications, 251-254 (2002), Editors A. Graja et al. , KLUWER Academic Publishers, Dordrecht, NATO ASI Series: Mathematics, Physics and Chemistry
    [ various file formats ]

  95. A. Brillante, R.G. Della Valle, L. Farina, A. Girlando, M. Masino, E. Venuti
    Raman phonon spectra of pentacene polymorphs.
    Chem. Phys. Lett. 357, 32-36 (2002)
    [ various file formats - dx.doi.org ]

  96. M. Masino, A. Girlando, R.G. Della Valle, E. Venuti, L. Farina, A. Brillante
    Temperature evolution of pentacene crystal structure and phonon dynamics.
    Mat. Res. Soc. Symp. Proc. 725, 149-154 (2002)
    [ various file formats ]

  97. A. Girlando, M. Masino, A. Brillante, R.G. Della Valle, E. Venuti
    BEDT-TTF organic superconductors: The role of phonons.
    Phys. Rev. B 66, 100507/1-4 (2002)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  98. 2003
  99. R.G. Della Valle, E. Venuti, A. Brillante, A. Girlando
    Inherent structures of crystalline pentacene.
    J. Chem. Phys. 118, 807-815 (2003)
    [ various file formats - dx.doi.org - link.aip.org ]

  100. A. Girlando, M. Masino, R.G. Della Valle, A. Brillante, E. Venuti
    Organic superconductors: How can we increase the critical temperature?
    Synth. Metals 137, 1273-1274 (2003)
    [ various file formats - dx.doi.org ]

  101. L. Farina, A. Brillante, R.G. Della Valle, E. Venuti, M. Amboage, K. Syassen
    Pressure-induced phase transitions in pentacene.
    Chem. Phys. Lett. 375, 490-494 (2003)
    [ various file formats - dx.doi.org ]

  102. L. Farina, K. Syassen, A. Brillante, R.G. Della Valle, E. Venuti, N. Karl
    Pentacene at high pressure.
    High Pressure Research 23, 349-354 (2003)
    [ various file formats - dx.doi.org ]

  103. A. Girlando, M. Masino, A. Brillante, R.G. Della Valle, E. Venuti
    Pairing mechanism in organic superconductors: The entangled role of phonons.
    in New Developments in Superconductivity Research, 15-28 (2003), Editor Ross W. Stevens, Nova Science Publishers (New York)
    [ various file formats ]

  104. R.G. Della Valle, E. Venuti, C. Cavazzoni, A.P.J. Emerson
    First principles prediction of pressure induced metallization in a mono-molecular organic crystal: Para-diiodobenzene.
    in Science & Supercomputing at CINECA, 212-217 (2003), Editors P. Coluccia, M. Voli, published by CINECA (Bologna)
    [ various file formats - dx.doi.org ]

  105. 2004
  106. R.G. Della Valle, E. Venuti, L. Farina, A. Brillante, M. Masino, A. Girlando
    Intramolecular and low-frequency intermolecular vibrations of pentacene polymorphs as a function of temperature.
    J. Phys. Chem. B 108, 1822-1826 (2004)
    [ various file formats - pubs.acs.org - dx.doi.org ]

  107. R.G. Della Valle, E. Venuti, L. Farina, A. Brillante, A. Girlando, M. Masino
    Exploring the polymorphism of crystalline pentacene.
    Organic Electronics 5, 1-6 (2004)
    [ various file formats - dx.doi.org ]

  108. E. Venuti, R.G. Della Valle, L. Farina, A. Brillante, M. Masino, A. Girlando
    Phonons and structures of tetracene polymorphs at low temperature and high pressure.
    Phys. Rev. B 70, 104106/1-8 (2004)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  109. M. Masino, A. Girlando, A. Brillante, L. Farina, R.G. Della Valle, E. Venuti
    Lattice dynamics and electron-phonon coupling in pentacene crystal structures.
    Macromolecular Symposia, Wiley-VCH 212, 375-380 (2004)
    [ various file formats - dx.doi.org ]

  110. R.G. Della Valle, A. Brillante, L. Farina, E. Venuti, M. Masino, A. Girlando
    Organic semiconductors: polymorphism, phonon dynamics and carrier-phonon coupling in pentacene.
    Mol. Cryst. Liq. Cryst. 416, 145-154 (2004)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  111. A. Girlando, M. Masino, A. Brillante, R.G. Della Valle, E. Venuti
    Peierls phonons in organic molecular crystals and charge transfer salts.
    Materials Science (Poland) 22, 307-316 (2004)
    [ various file formats ]

  112. M. Masino, A. Girlando, A. Brillante, R.G. Della Valle, E. Venuti
    High pressure optical study of the neutral-ionic phase transition in TTF-CA.
    Materials Science (Poland) 22, 333-337 (2004)
    [ various file formats ]

  113. 2005
  114. A. Brillante, R.G. Della Valle, L. Farina, E. Venuti, C. Cavazzoni, A.P.J. Emerson, K. Syassen
    High pressure dissociation of crystalline para-diiodobenzene: optical experiments and Car-Parrinello calculations.
    J. Am. Chem. Soc. 127, 3038-3043 (2005)
    [ various file formats - pubs.acs.org - dx.doi.org ]

  115. G.M. Day, W.D.S. Motherwell, H. Ammon, S.X.M. Boerrigter, R.G. Della Valle, E. Venuti, A. Dzyabchenko, J. Dunitz, B. Schweizer, B.P. van Eijck, P. Erk, J.C. Facelli, V.E. Bazterra, M.B. Ferraro, D.W.M. Hofmann, F.J.J. Leusen, C. Liang, C.C. Pantelides, P.G. Karamertzanis, S.L. Price, T.C. Lewis, H. Nowell, A. Torrisi, H.A. Scheraga, Y.A. Arnautova, M.U. Schmidt, P. Verwer
    A third blind test of crystal structure prediction.
    Acta Cryst. B 61, 511-527 (2005)
    [ pdf file - www.iucr.org - dx.doi.org ]

  116. A. Brillante, I. Bilotti, R.G. Della Valle, E. Venuti, M. Masino, A. Girlando
    Characterization of phase purity in organic semiconductors by lattice phonon confocal Raman mapping: Application to pentacene.
    Adv. Mater. 17, 2549-2553 (2005)
    [ pdf file (Username & Password required) - dx.doi.org ]

  117. F. Costanzo, R.G. Della Valle, V. Barone
    MD simulation of the Na+-phenylalanine complex in water: competition between cation-pi interaction and aqueous solvation.
    J. Phys. Chem. B 109, 23016-23023 (2005)
    [ various file formats - pubs.acs.org - dx.doi.org ]

  118. 2006
  119. M. Masino, A. Girlando, A. Brillante, R.G. Della Valle, E. Venuti, N. Drichko, M. Dressel
    Lattice dynamics of TTF-CA across the neutral-ionic transition.
    Chem. Phys. 325, 71-77 (2006)
    [ various file formats - dx.doi.org ]

  120. M. Oehzelt, A. Aichholzer, R. Resel, G. Heimel, E. Venuti, R.G. Della Valle
    Crystal structure of oligoacenes under high pressure.
    Phys. Rev. B 74, 104103/1-7 (2006)
    [ various file formats - dx.doi.org ]

  121. R.G. Della Valle, E. Venuti, A. Brillante, A. Girlando
    Inherent structures of crystalline tetracene.
    J. Phys. Chem. A 110, 10858-10862 (2006)
    [ various file formats - dx.doi.org ]

  122. A. Brillante, I. Bilotti, F. Biscarini, R.G. Della Valle, E. Venuti
    Polymorphs of alpha-sexithiophene probed by lattice phonon Raman microscopy.
    Chem. Phys. 328, 125-131 (2006)
    [ various file formats - dx.doi.org ]

  123. 2007
  124. F. Costanzo, M. Sulpizi, J. VandeVondele, R.G. Della Valle, M. Sprik
    Ab initio molecular dynamics study of ascorbic acid in aqueous solution.
    Mol. Phys. 105, 17-23 (2007)
    [ various file formats - dx.doi.org ]

  125. A. Gambi, R.G. Della Valle
    Local mode and normal mode models for molecules with two non equivalent C-H bonds.
    Mol. Phys. 105, 1779-1787 (2007)
    [ various file formats - dx.doi.org ]

  126. 2008
  127. R.G. Della Valle, E. Venuti, A. Brillante, A. Girlando
    Do computed crystal structures of non-polar molecules depend on the electrostatic interactions? The case of tetracene.
    J. Phys. Chem. A 112, 1085-1089 (2008)
    [ various file formats - dx.doi.org - pubs.acs.org ]

  128. R.G. Della Valle, E. Venuti, A. Brillante, A. Girlando
    Are crystal polymorphs predictable? The case of sexithiophene.
    J. Phys. Chem. A 112, 6715-6722 (2008)
    [ various file formats - dx.doi.org ]

  129. F. Costanzo, M. Sulpizi, R.G. Della Valle, M. Sprik
    First principles study of alkali-tyrosine complexes: alkali solvation and redox properties.
    J. Chem. Theory Comput. 4, 1049-1056 (2008)
    [ various file formats - dx.doi.org - pubs.acs.org ]

  130. A. Girlando, M. Masino, A. Painelli, N. Drichko, M. Dressel, A. Brillante, R.G. Della Valle, E. Venuti
    Direct evidence of overdamped Peierls-coupled modes in the temperature-induced phase transition in tetrathiafulvalene-chloranil.
    Phys. Rev. B 78, 045103/1-12 (2008)
    [ various file formats - xxx.lanl.gov - dx.doi.org ]

  131. A. Brillante, I. Bilotti, R.G. Della Valle, E. Venuti, A. Girlando
    Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy.
    CrystEngComm 10, 937-946 (2008)
    [ pdf file (Username & Password required) - dx.doi.org ]

  132. F. Costanzo, R.G. Della Valle
    Car-Parrinello MD simulations for the Na+-phenylalanine complex in aqueous solution.
    J. Phys. Chem. B 112, 12783-12789 (2008)
    [ various file formats - dx.doi.org - pubs.acs.org ]

  133. E. Venuti, I. Bilotti, R.G. Della Valle, A. Brillante, P. Ranzieri, M. Masino, A. Girlando
    Polarized Raman spectra of a rubrene single crystal.
    J. Phys. Chem. C 112, 17416-17422 (2008)
    [ various file formats - dx.doi.org - pubs.acs.org ]

  134. A. Brillante, I. Bilotti, R.G. Della Valle, E. Venuti, S. Milita, C. Dionigi, F. Borgatti, A.N. Lazar, F. Biscarini, M. Mas-Torrent, N. Oxtoby, N. Crivillers, J. Veciana, C. Rovira, M. Leufgen, G. Schmidt, L.W. Molenkamp
    The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene.
    CrystEngComm 10, 1899-1909 (2008)
    [ various file formats - dx.doi.org ]

  135. 2009
  136. A. Girlando, P. Ranzieri, S. Tavazzi, M. Campione, L. Raimondo, I. Bilotti, A. Brillante, R.G. Della Valle, E. Venuti
    Polymorphism and phonon dynamics of alpha-quaterthiophene.
    ChemPhysChem 10, 657-663 (2009)
    [ various file formats - dx.doi.org ]

  137. G.M. Day, T.G. Cooper, A.J. Cruz-Cabeza, K.E. Hejczyk, H.L. Ammon, S.X.M. Boerrigter, J.S. Tan, R.G. Della Valle, E. Venuti, J. Jose, S.R. Gadre, G.R. Desiraju, T.S. Thakur, B.P. van Eijck, J.C. Facelli, V.E. Bazterra, M.B. Ferraro, D.W.M. Hofmann, M.A. Neumann, F.J.J. Leusen, J. Kendrick, S.L. Price, A.J. Misquitta, P.G. Karamertzanis, G.W.A. Welch, H.A. Scheraga, Y.A. Arnautova, M.U. Schmidt, J. van de Streek, A.K. Wolfq, B. Schweizerr
    Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test.
    Acta Cryst. B 65, 107-125 (2009)
    [ pdf file - dx.doi.org ]

  138. R.G. Della Valle, E. Venuti, A. Brillante, A. Girlando
    Molecular dynamics simulations for a pentacene monolayer on amorphous silica.
    ChemPhysChem 10, 1783-1788 (2009)
    [ various file formats - dx.doi.org ]

  139. N.G. Martinelli, Y. Olivier, S. Athanasopoulos, M.C. Ruiz Delgado, K.R. Pigg, D.A. da Silva Filho, R.S. Sánchez-Carrera, E. Venuti, R.G. Della Valle, J.L. Brédas, D. Beljonne, J. Cornil
    Influence of intermolecular vibrations on the electronic coupling in organic semiconductors: A molecular dynamics and quantum-chemical study of the anthracene and perfluoropentacene molecular crystals.
    ChemPhysChem 10, 2265-2273 (2009)
    [ various file formats - dx.doi.org ]

  140. 2010
  141. A. Girlando, S. Ianelli, I. Bilotti, A. Brillante, R.G. Della Valle, E. Venuti, M. Campione, S. Mora, L. Silvestri, P. Spearman, S. Tavazzi
    Spectroscopic and structural characterization of two polymorphs of 1,1,4,4-tetraphenyl-1,3-butadiene.
    Crystal Growth & Design 10, 2752-2758 (2010)
    [ various file formats - dx.doi.org ]

  142. A. Girlando, L. Grisanti, M. Masino, I. Bilotti, A. Brillante, R.G. Della Valle, E. Venuti
    Peierls and Holstein carrier-phonon coupling in crystalline rubrene.
    Phys. Rev. B 82, 035208/1-8 (2010)
    [ various file formats - dx.doi.org ]

  143. F. Costanzo, R.G. Della Valle, E. Venuti, A. Brillante, P.L. Silvestrelli
    DFT investigation of oligothiophenes on the Si(001) Surface.
    J. Phys. Chem. C. 114, 20068-20075 (2010)
    [ various file formats - dx.doi.org - supplementary tar.gz file - other file formats ]

  144. 2011
  145. E. Venuti, R.G. Della Valle, I. Bilotti, A. Brillante, M. Cavallini, A. Calò, Y.H. Geerts
    Absorption, photoluminescence and polarized Raman spectra of a four-fold alkoxy-substituted phthalocyanine liquid-crystal.
    J. Phys. Chem. C 115, 12150-12157 (2011)
    [ various file formats - dx.doi.org ]

  146. F. Costanzo, R.G. Della Valle, M. Sulpizi, M. Sprik
    The oxidation of tyrosine and tryptophan studied by a molecular dynamics normal hydrogen electrode.
    J. Chem. Phys. 134, 244508/1-21 (2011)
    [ various file formats - dx.doi.org - link.aip.org ]

  147. A. Girlando, L. Grisanti, M. Masino, A. Brillante, R.G. Della Valle, E. Venuti
    Interaction of charge carriers with lattice and molecular phonons in crystalline pentacene.
    J. Chem. Phys. 135, 084701/1-6 (2011)
    [ various file formats - dx.doi.org - link.aip.org ]

  148. D.A. Bardwell, C.S. Adjiman, Y.A. Arnautova, E. Bartashevich, S.X.M. Boerrigter, D.E. Braun, A.J. Cruz-Cabeza, G.M. Day, R.G. Della Valle, G.R. Desiraju, B.P. van Eijck, J.C. Facelli, M.B. Ferraro, D. Grillo, M. Habgood, D.W.M. Hofmann, F. Hofmann, K.V.J. Jose, P.G. Karamertzanis, A.V. Kazantsev, J. Kendrick, L.N. Kuleshova, F.J.J. Leusen, A.V. Maleev, A.J. Misquitta, S. Mohamed, R.J. Needs, M.A. Neumann, D. Nikylov, A.M. Orendt, R. Pal, C.C. Pantelides, C.J. Pickard, L.S. Price, S.L. Price, H.A. Scheraga, J. van de Streek, T.S. Thakur, S. Tiwari, E. Venuti, I.K. Zhitkov
    Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test.
    Acta Cryst. B 67, 535-551 (2011)
    [ pdf file - www.iucr.org - dx.doi.org ]

  149. 2012
  150. A. Girlando, M. Masino, I. Bilotti, A. Brillante, R.G. Della Valle, E. Venuti
    Phonon dynamics and electron-phonon coupling in pristine picene.
    Phys. Chem. Chem. Phys. 14, 1694-1699 (2012)
    [ various file formats - dx.doi.org ]

  151. A. Brillante, I. Bilotti, R.G. Della Valle, E. Venuti, M. Mas-Torrent, C. Rovira, Y. Yamashita
    Phase recognition by lattice phonon Raman spectra: the triclinic structure of the organic semiconductor dibenzo-tetrathiafulvalene.
    Chem. Phys. Lett. 523, 74-77 (2012)
    [ pdf file (Username & Password required) - dx.doi.org ]

  152. F. Liscio, S. Milita, C. Albonetti, P. D'Angelo, A. Guagliardi, N. Masciocchi, R.G. Della Valle, E. Venuti, A. Brillante, F. Biscarini
    Structure and morphology of PDI8-CN2 for n-type thin-film transistors.
    Adv. Funct. Mater. 22, 943-953 (2012)
    [ pdf file (Username & Password required) - dx.doi.org - supplementary pdf file ]

  153. A. Brillante, I. Bilotti, R.G. Della Valle, E. Venuti, A. Girlando, M. Masino, C. Albonetti, P. D'Angelo, F. Liscio, S. Milita, A. Shehu, F. Biscarini
    Structure and dynamics of pentacene on SiO2: from monolayer to bulk structure.
    Phys. Rev. B 85, 195308/1-9 (2012)
    [ various file formats - dx.doi.org ]

  154. T. Salzillo, I. Bilotti, R.G. Della Valle, E. Venuti, A. Brillante
    Crystal to crystal photoinduced reaction of dinitro-anthracene to anthraquinone.
    J. Am. Chem. Soc. 134, 17671-17679 (2012)
    [ pdf file (Username & Password required) - dx.doi.org ]

  155. I. Salzmann, A. Moser, M. Oehzelt, T. Breuer, X. Feng, Z. -Y. Juang, D. Nabok, R.G. Della Valle, S. Duhm, G. Heimel, A. Brillante, E. Venuti, I. Bilotti, C. Christodoulou, J. Frisch, P. Puschnig, C. Draxl, G. Witte, K. Müllen, N. Koch
    Epitaxial growth of pi-stacked perfluoropentacene on graphene-coated quartz.
    ACS NANO 6, 10874-10883 (2012)
    [ pdf file - dx.doi.org ]

  156. 2013
  157. A. Bacchi, I. Bilotti, A. Brillante, D. Crocco, R.G. Della Valle, A. Girlando, M. Masino, P. Pelagatti, E. Venuti
    Raman investigation of polymorphism in 1,1,4,4-tetraphenylbutadiene.
    J. Raman Spectrosc. 44, 905-908 (2013)
    [ various file formats - dx.doi.org ]

  158. O. Roscioni, L. Muccioli, R.G. Della Valle, A. Pizzirusso, M. Ricci, C. Zannoni
    Predicting the anchoring of liquid crystals at a solid surface: 5-cyanobiphenyl on cristobalite and glassy silica surfaces of increasing roughness.
    Langmuir 29, 8950-8958 (2013)
    [ pdf file (Username & Password required) - dx.doi.org - supplementary pdf file ]

  159. 2014
  160. T. Salzillo, S. Zaccheroni, R.G. Della Valle, E. Venuti, A. Brillante
    Micro Raman investigation of the photodimerization reaction of 9-cyanoanthracene in the solid state.
    J. Phys. Chem. C 118, 9628-9635 (2014)
    [ various file formats - dx.doi.org - pubs.acs.org ]

  161. C. Femoni, M.C. Iapalucci, G. Longoni, S. Zacchini, I. Ciabatti, R.G. Della Valle, M. Mazzani, M. Riccò
    The chemistry of Ni-Sb carbonyl clusters - Synthesis and characterization of the [Ni19Sb4(CO) 26]4- tetraanion and the viologen salts of [Ni13Sb2(CO) 24]n- carbonyl clusters.
    Eur. J. Inorg. Chem., 4151-4158 (2014)
    [ pdf file (Username & Password required) - dx.doi.org ]

  162. A. Bacchi, A. Brillante, D. Crocco, M.R. Chierotti, R.G. Della Valle, A. Girlando, M. Masino, P. Pelagatti, E. Venuti
    Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene.
    CrystEngComm 16, 8205-8213 (2014)
    [ pdf file - dx.doi.org ]

  163. 2016
  164. T. Salzillo, R.G. Della Valle, E. Venuti, A. Brillante, T. Siegrist, M. Masino, F. Mezzadri, A. Girlando
    Two new polymorphs of the organic semiconductor 9,10-diphenylanthracene: Raman and X-ray analysis.
    J. Phys. Chem. C 120, 1831-1840 (2016)
    [ various file formats - dx.doi.org ]

  165. T. Salzillo, M. Masino, G. Kociok-Koöhn, D. Di Nuzzo, E. Venuti, R.G. Della Valle, D. Vanossi, C. Fontanesi, A. Girlando, A. Brillante, E. Da Como
    Structure, stoichiometry, and charge transfer in cocrystals of perylene with TCNQ-Fx.
    Crystal Growth & Design 16, 3028-3036 (2016)
    [ pdf file (Username & Password required) - dx.doi.org - supplementary pdf file ]

  166. 2017
  167. T. Salzillo, E. Venuti, R.G. Della Valle, A. Brillante
    Solid-state photodimerization of 9-methyl-anthracene.
    J. Raman Spectrosc. 48, 271-277 (2017)
    [ pdf file (Username & Password required) - dx.doi.org ]

  168. A. Brillante, T. Salzillo, R.G. Della Valle, E. Venuti, F. Borgatti, E. Lunedei, F. Liscio, S. Milita, C. Albonetti
    Photoluminescence as a probe of molecular organization in PDI8-CN2 ultra-thin films.
    J. Lumin. 187, 403-409 (2017)
    [ pdf file (Username & Password required) - dx.doi.org ]

  169. T. Salzillo, E. Venuti, C. Femoni, R.G. Della Valle, R. Tarroni, A. Brillante
    Crystal structure of the 9-anthracene-carboxylic acid photochemical dimer and its solvates by X-ray diffraction and Raman microscopy.
    Crystal Growth & Design 17, 3361-3370 (2017)
    [ pdf file (Username & Password required) - dx.doi.org - supplementary pdf file ]

  170. N. Bedoya-Martínez, B. Schrode, A.O.F. Jones, T. Salzillo, C. Ruzié, N. Demitri, Y.H. Geerts, E. Venuti, R.G. Della Valle, E. Zojer, R. Resel
    DFT-assisted polymorph identification from lattice Raman fingerprinting.
    J. Phys. Chem. Lett. 8, 3690-3695 (2017)
    [ pdf file - dx.doi.org ]


  171. Publication list updated on 13-Oct-2017, for raffaele.dellavalle@unibo.it.