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   '18   '19   '20   '21   '22   '23   '24  
    1979
  1. R. G. Della Valle, P. F. Fracassi, V. Schettino and S. Califano
    Anharmonic interactions in molecular crystals. Two-phonon absorption in crystalline OCS.
    Chem. Phys. 43, 385-393 (1979)
    [ doi.org ]

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

    3. 1981
  3. R. G. Della Valle, P. F. Fracassi and S. H. Walmsley
    Theory of ultrasonic absorption in anharmonic molecular crystals.
    Chem. Phys. 62, 231-237 (1981)
    [ doi.org ]

    4. 1983
  4. R. G. Della Valle, P. F. Fracassi, R. Righini and 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)
    [ doi.org ]

  5. R. G. Della Valle and P. F. Fracassi
    I Fononi.
    Le Scienze (Italian Edition of Scientific American) 177, 50-57 (1983)

  6. R. Righini, P. F. Fracassi and 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)
    [ doi.org ]

    7. 1984
  7. R. G. Della Valle and G. S. Pawley
    Molecular dynamics simulation of crystalline naphthalene.
    Acta Cryst. A 40, 297-305 (1984)
    [ doi.org ]

  8. R. G. Della Valle and P. F. Fracassi
    Polar modes in molecular crystals: Ewald splitting of infrared and Raman lines.
    Can. J. Phys. 62, 1237-1247 (1984)
    [ doi.org ]

  9. P. F. Fracassi, M. L. Klein and 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)
    [ doi.org ]

  10. P. F. Fracassi and R. G. Della Valle
    Potential models and torsional stability in molecular crystals.
    Chem. Phys. Lett. 104, 435-439 (1984)
    [ doi.org ]

    11. 1985
  11. L. Angeloni, R. G. Della Valle and P. F. Fracassi
    Theoretical analysis of resonant Raman scattering: Simulation of lineshapes and excitation profiles.
    Chem. Phys. 94, 351-364 (1985)
    [ doi.org ]

  12. P. F. Fracassi, L. Angeloni and R. G. Della Valle
    Effects of dampings and dephasings in resonance Raman spectroscopy.
    Chem. Phys. Lett. 115, 428-433 (1985)
    [ doi.org ]

  13. P. F. Fracassi, R. Righini and R. G. Della Valle
    Lattice dynamics of solid α-carbon monoxide.
    Chem. Phys. 96, 361-369 (1985)
    [ doi.org ]

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

    15. 1986
  15. L. Angeloni, P. F. Fracassi and R. G. Della Valle
    Non perturbative theory of electronic resonance coherent Raman scattering (CARS, CRRS).
    J. Mol. Struct. 142, 489-492 (1986)
    [ doi.org ]

  16. R. G. Della Valle, P. Foggi and P. F. Fracassi
    Transient behaviour of coherent and incoherent processes in a three level system.
    Chem. Phys. 103, 287-294 (1986)
    [ doi.org ]

    17. 1987
  17. R. G. Della Valle and A. Brillante
    A dynamical model of excimer instability in molecular crystals.
    Chem. Phys. 116, 141-149 (1987)
    [ doi.org ]

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

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

  20. P. F. Fracassi, L. Angeloni and R. G. Della Valle
    Non-perturbative theory of four-wave light scattering in strong fields.
    Chem. Phys. 115, 169-186 (1987)
    [ doi.org ]

    21. 1988
  21. A. Brillante, R. G. Della Valle, K. Strössner and K. Syassen
    Excimer luminescence of anthracene derivatives at high pressure.
    J. Lumin. 40-41, 278-279 (1988)
    [ doi.org ]

  22. A. Brillante, R. G. Della Valle and K. Syassen
    High pressure Raman spectra and pressure-induced phase transition of β-9,10-dichloroanthracene.
    J. Chem. Phys. 89, 3163-3167 (1988)
    [ doi.org ]

  23. W. Caminati, B. Velino and 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)
    [ doi.org ]

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

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

    26. 1989
  26. R. G. Della Valle
    Lattice dynamics of YBa2Cu3O6 and YBa2Cu3O7, a rigid ion model.
    Physica C 162-164, 1429-1430 (1989)
    [ doi.org ]

    27. 1990
  27. R. Bini, P. Foggi and 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)
    [ doi.org ]

    28. 1991
  28. R. Bini, P. Foggi and 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)
    [ doi.org ]

  29. R. G. Della Valle and H. C. Andersen
    Molecular dynamics simulation of amorphous silica.
    Molecular Dynamics Simulations 103, 67-77 (1991), ed. F. Yonezawa
    [ doi.org ]

  30. R. G. Della Valle and H. C. Andersen
    Test of a pairwise additive ionic potential model for silica.
    J. Chem. Phys. 94, 5056-5060 (1991)
    [ doi.org ]

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

    32. 1992
  32. R. G. Della Valle and A. Brillante
    Stability under pressure of excimers of anthracene derivatives.
    J. Lumin. 53, 110-112 (1992)
    [ doi.org ]

  33. R. G. Della Valle and H. C. Andersen
    Molecular dynamics simulation of silica liquid and glass.
    J. Chem. Phys. 97, 2682-2689 (1992)
    [ doi.org ]

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

    35. 1993
  35. R. G. Della Valle, D. Gazzillo and 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)
    [ doi.org ]

  36. D. Gazzillo and 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)
    [ doi.org ]

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

    38. 1994
  38. A. Brillante, M. Cau, R. G. Della Valle and E. Venuti
    The effect of pressure on the photodimerization of 7-methoxycumarin crystal.
    Chem. Phys. Lett. 218, 568-573 (1994)
    [ doi.org ]

  39. R. G. Della Valle and E. Venuti
    A molecular dynamics study of the vibrational properties of silica glass.
    Chem. Phys. 179, 411-419 (1994)
    [ doi.org ]

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

  41. R. G. Della Valle and A. Brillante
    Lattice dynamics of halogenated anthracene derivatives under pressure.
    J. Chem. Phys. 100, 7640-7647 (1994)
    [ doi.org ]

  42. R. Frattini and R. G. Della Valle
    Molecular dynamics simulation of glassy Cu33Y77.
    Phys. Rev. B 50, 3620-3624 (1994)
    [ doi.org ]

    43. 1995
  43. A. Brillante, R. G. Della Valle, R. Farina and E. Venuti
    Pressure-induced phase transitions in 9,10-anthracene derivatives: Anthraquinone.
    Chem. Phys. 191, 177-184 (1995)
    [ doi.org ]

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

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

    46. 1996
  46. R. G. Della Valle, E. Venuti and A. Brillante
    Quasi harmonic lattice dynamics vs molecular dynamics: thermal expansion of solid argon.
    Gazz. Chim. Ital. 126, 615-617 (1996)

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

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

    49. 1997
  49. A. Brillante, R. G. Della Valle, A. Girlando, A. Painelli and E. Venuti
    Intermolecular phonons in BEDT-TTF crystals.
    Synthetic Metals 85, 1561-1562 (1997)
    [ doi.org ]

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

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

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

    53. 1998
  53. R. G. Della Valle and E. Venuti
    Quasiharmonic lattice dynamics and molecular dynamics calculations for the Lennard-Jones solids.
    Phys. Rev. B 58, 206-212 (1998)
    [ doi.org ]

    54. 1999
  54. A. Brillante, R. G. Della Valle, C. Polizzi and K. Syassen
    Pressure-induced phase transitions in quasi-one-dimensional anthracene derivatives.
    Physica B: Condensed Matter 265, 199-202 (1999)
    [ doi.org ]

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

  56. R. G. Della Valle, A. Brillante, G. Visentini and A. Girlando
    Structure and phonons of α-ET2+I3- crystals.
    Physica B: Condensed Matter 265, 195-198 (1999)
    [ doi.org ]

  57. R. G. Della Valle, A. Brillante, G. Visentini and A. Girlando
    Lattice dynamics and e-ph coupling in BEDT-TTF superconductors.
    Synthetic Metals 103, 2083 (1999)
    [ doi.org ]

  58. R. G. Della Valle, L. Halonen and E. Venuti
    Molecular anharmonicity - A computer aided treatment.
    J. Comput. Chem. 20, 1716-1730 (1999)
    [ doi.org ]

  59. R. G. Della Valle and 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)
    [ doi.org ]

  60. D. Gazzillo, A. Giacometti, R. G. Della Valle, E. Venuti and 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)
    [ doi.org ]

  61. E. Venuti, L. Halonen and R. G. Della Valle
    High dimensional anharmonic potential energy surfaces: The case of methane.
    J. Chem. Phys. 110, 7339-7347 (1999)
    [ doi.org ]

    62. 2000
  62. R. G. Della Valle, A. Brillante, E. Venuti and L. Palazzi
    Coupling between intramolecular and lattice vibrations in solid para-diiodobenzene.
    Chem. Phys. Lett. 325, 599-604 (2000)
    [ doi.org ]

  63. R. G. Della Valle and P. Procacci
    Computer-aided series expansion for phonon self-energy.
    J. Comput. Phys. 165, 428-436 (2000)
    [ doi.org ]

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

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

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

  67. A. Girlando, M. Masino, G. Visentini, A. Brillante, R. G. Della Valle and E. Venuti
    Electron-phonon coupling in BEDT-TTF (ET) superconductors.
    Synthetic Metals 109, 13-17 (2000)
    [ doi.org ]

  68. A. Girlando, M. Masino, G. Visentini, R. G. Della Valle, A. Brillante and E. Venuti
    Lattice dynamics and electron-phonon coupling in β-(BEDT-TTF)2I3 organic superconductor.
    Phys. Rev. B 62, 14476-14486 (2000)
    [ doi.org ]

  69. I. López-Tocón, R. G. Della Valle, M. Becucci, E. Castellucci and 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)
    [ doi.org ]

    70. 2001
  70. R. G. Della Valle, E. Venuti, L. Farina and 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)
    [ doi.org ]

  71. E. Venuti, R. G. Della Valle, L. Farina, A. Brillante, C. Vescovi and A. Girlando
    Temperature dependence of structure and phonons of α- and β-TTF crystals.
    Phys. Chem. Chem. Phys. 3, 4170-4175 (2001)
    [ doi.org ]

    72. 2002
  72. A. Brillante, R. G. Della Valle, L. Farina, A. Girlando, M. Masino and E. Venuti
    Raman phonon spectra of pentacene polymorphs.
    Chem. Phys. Lett. 357, 32-36 (2002)
    [ doi.org ]

  73. A. Girlando, M. Masino and R. G. Della Valle
    Electron-intermolecular phonon coupling in κ-phase BEDT-TTF organic superconductors.
    Molecular low dimensional and nanostructured materials for advanced applications, 251-254 (2002), ed. A. Graja, B. R. Bulka and F. Kajzar
    [ doi.org ]

  74. A. Girlando, M. Masino, A. Brillante, R. G. Della Valle and E. Venuti
    BEDT-TTF organic superconductors: The role of phonons.
    Phys. Rev. B 66, 100507/1-4 (2002)
    [ doi.org ]

  75. M. Masino, A. Girlando, R. G. Della Valle, E. Venuti, L. Farina and A. Brillante
    Temperature evolution of pentacene crystal structure and phonon dynamics.
    MRS Proceedings 725, 149-154 (2002)
    [ doi.org ]

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

    77. 2003
  77. R. G. Della Valle, E. Venuti, C. Cavazzoni and A. P. J. Emerson
    First principles prediction of pressure induced metallization in a mono-molecular organic crystal: Para-diiodobenzene.
    Science and Supercomputing at CINECA, 212-217 (2003), ed. P. Coluccia and M. Voli

  78. R. G. Della Valle, E. Venuti, A. Brillante and A. Girlando
    Inherent structures of crystalline pentacene.
    J. Chem. Phys. 118, 807-815 (2003)
    [ doi.org ]

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

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

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

  82. A. Girlando, M. Masino, A. Brillante, R. G. Della Valle and E. Venuti
    Pairing mechanism in organic superconductors: The entangled role of phonons.
    New Developments in Superconductivity Research, 15-28 (2003), ed. Ross W. Stevens

    83. 2004
  83. R. G. Della Valle, A. Brillante, L. Farina, E. Venuti, M. Masino and A. Girlando
    Organic semiconductors: polymorphism, phonon dynamics and carrier-phonon coupling in pentacene.
    Mol. Cryst. Liq. Cryst. 416, 145-154 (2004)
    [ doi.org ]

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

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

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

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

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

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

    90. 2005
  90. A. Brillante, R. G. Della Valle, L. Farina, E. Venuti, C. Cavazzoni, A. P. J. Emerson and K. Syassen
    High pressure dissociation of crystalline para-diiodobenzene: optical experiments and Car-Parrinello calculations.
    J. Am. Chem. Soc. 127, 3038-3043 (2005)
    [ doi.org ]

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

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

  93. 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 and P. Verwer
    A third blind test of crystal structure prediction.
    Acta Cryst. B 61, 511-527 (2005)
    [ doi.org ]

    94. 2006
  94. A. Brillante, I. Bilotti, F. Biscarini, R. G. Della Valle and E. Venuti
    Polymorphs of α-sexithiophene probed by lattice phonon Raman microscopy.
    Chem. Phys. 328, 125-131 (2006)
    [ doi.org ]

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

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

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

    98. 2007
  98. F. Costanzo, M. Sulpizi, J. VandeVondele, R. G. Della Valle and M. Sprik
    Ab initio molecular dynamics study of ascorbic acid in aqueous solution.
    Mol. Phys. 105, 17-23 (2007)
    [ doi.org ]

  99. A. Gambi and 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)
    [ doi.org ]

    100. 2008
  100. A. Brillante, I. Bilotti, R. G. Della Valle, E. Venuti and A. Girlando
    Probing polymorphs of organic semiconductors by lattice phonon Raman microscopy.
    CrystEngComm 10, 937-946 (2008)
    [ doi.org ]

  101. 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 and L. W. Molenkamp
    The four polymorphic modifications of the semiconductor dibenzo-tetrathiafulvalene.
    CrystEngComm 10, 1899-1909 (2008)
    [ doi.org ]

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

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

  104. R. G. Della Valle, E. Venuti, A. Brillante and 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)
    [ doi.org ]

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

  106. A. Girlando, M. Masino, A. Painelli, N. Drichko, M. Dressel, A. Brillante, R. G. Della Valle and 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)
    [ doi.org ]

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

    108. 2009
  108. 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. Wolf and 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)
    [ doi.org ]

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

  110. 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 and 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)
    [ doi.org ]

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

    112. 2010
  112. F. Costanzo, R. G. Della Valle, E. Venuti, A. Brillante and P. L. Silvestrelli
    DFT investigation of oligothiophenes on the Si(001) Surface.
    J. Phys. Chem. C. 114, 20068-20075 (2010)
    [ doi.org ]

  113. A. Girlando, S. Ianelli, I. Bilotti, A. Brillante, R. G. Della Valle, E. Venuti, M. Campione, S. Mora, L. Silvestri, P. Spearman and 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)
    [ doi.org ]

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

    115. 2011
  115. 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 and 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)
    [ doi.org ]

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

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

  118. E. Venuti, R. G. Della Valle, I. Bilotti, A. Brillante, M. Cavallini, A. Calò and 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)
    [ doi.org ]

    119. 2012
  119. A. Brillante, I. Bilotti, R. G. Della Valle, E. Venuti, M. Mas-Torrent, C. Rovira and 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)
    [ doi.org ]

  120. 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 and F. Biscarini
    Structure and dynamics of pentacene on SiO2: from monolayer to bulk structure.
    Phys. Rev. B 85, 195308/1-9 (2012)
    [ doi.org ]

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

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

  123. T. Salzillo, I. Bilotti, R. G. Della Valle, E. Venuti and A. Brillante
    Crystal to crystal photoinduced reaction of dinitro-anthracene to anthraquinone.
    J. Am. Chem. Soc. 134, 17671-17679 (2012)
    [ doi.org ]

  124. 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 and N. Koch
    Epitaxial growth of π-stacked perfluoropentacene on graphene-coated quartz.
    ACS NANO 6, 10874-10883 (2012)
    [ doi.org ]

    125. 2013
  125. A. Bacchi, I. Bilotti, A. Brillante, D. Crocco, R. G. Della Valle, A. Girlando, M. Masino, P. Pelagatti and E. Venuti
    Raman investigation of polymorphism in 1,1,4,4-tetraphenylbutadiene.
    J. Raman Spectrosc. 44, 905-908 (2013)
    [ doi.org ]

  126. O. Roscioni, L. Muccioli, R. G. Della Valle, A. Pizzirusso, M. Ricci and 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)
    [ doi.org ]

    127. 2014
  127. A. Bacchi, A. Brillante, D. Crocco, M. R. Chierotti, R. G. Della Valle, A. Girlando, M. Masino, P. Pelagatti and E. Venuti
    Exploration of the polymorph landscape for 1,1,4,4-tetraphenyl-1,3-butadiene.
    CrystEngComm 16, 8205-8213 (2014)
    [ doi.org ]

  128. C. Femoni, M. C. Iapalucci, G. Longoni, S. Zacchini, I. Ciabatti, R. G. Della Valle, M. Mazzani and 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)
    [ doi.org ]

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

    130. 2016
  130. T. Salzillo, R. G. Della Valle, E. Venuti, A. Brillante, T. Siegrist, M. Masino, F. Mezzadri and 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)
    [ doi.org ]

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

    132. 2017
  132. 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 and R. Resel
    DFT-assisted polymorph identification from lattice Raman fingerprinting.
    J. Phys. Chem. Lett. 8, 3690-3695 (2017)
    [ doi.org ]

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

  134. R. G. Della Valle, E. Venuti, T. Salzillo, A. Brillante, M. Masino and A. Girlando
    Simulated Raman spectra of four tetraphenylbutadiene polymorphs.
    Int. J. Quantum Chem. 118, e25503/1-8 (2017)
    [ doi.org ]

  135. T. Salzillo, E. Venuti, C. Femoni, R. G. Della Valle, R. Tarroni and 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)
    [ doi.org ]

  136. T. Salzillo, E. Venuti, R. G. Della Valle and A. Brillante
    Solid-state photodimerization of 9-methyl-anthracene.
    J. Raman Spectrosc. 48, 271-277 (2017)
    [ doi.org ]

  137. J. Socci, T. Salzillo, R. G. Della Valle, E. Venuti and A. Brillante
    Fast identification of rubrene polymorphs by lattice phonon Raman microscopy.
    Solid State Sciences 71, 146-151 (2017)
    [ doi.org ]

    138. 2018
  138. N. Bedoya-Martínez, A. Giunchi, T. Salzillo, E. Venuti, R. G. Della Valle and E. Zojer
    Towards a reliable description of the lattice vibrations in organic molecular crystals: The impact of van der Waals interactions.
    J. Chem. Theory Comput. 14, 4380-4390 (2018)
    [ doi.org ]

  139. C. Cappuccino, P. P. Mazzeo, T. Salzillo, E. Venuti, A. Giunchi, R. G. Della Valle, A. Brillante, C. Bettini, M. Melucci and L. Maini
    Synergic approach of X-ray powder diffraction and Raman spectroscopy for crystal structure determination of 2,3-thienoimide capped oligothiophenes.
    Phys. Chem. Chem. Phys. 20, 3630-3636 (2018)
    [ doi.org ]

  140. A. Rivalta, T. Salzillo, E. Venuti, R. G. Della Valle, B. Sokolovivc, O. Werzer and A. Brillante
    Bulk and surface-stabilized structures of paracetamol revisited by Raman confocal microscopy.
    ACS Omega 3, 9564-9571 (2018)
    [ doi.org ]

  141. T. Salzillo, S. d'Agostino, A. Rivalta, A. Giunchi, A. Brillante, R. G. Della Valle, N. Bedoya-Martínez, E. Zojer, F. Grepioni and E. Venuti
    Structural, spectroscopic and computational assessment of the concomitant polymorphs of the natural semiconductor indigo.
    J. Phys. Chem. C 122, 18422-18431 (2018)
    [ doi.org ]

  142. T. Salzillo, A. Giunchi, M. Masino, N. Bedoya-Martínez, R. G. Della Valle, A. Brillante, A. Girlando and E. Venuti
    An alternative way to crystal characterization at work: The emblematic case of coronene.
    Crystal Growth & Design 18, 4869-4873 (2018)
    [ doi.org ]

    143. 2019
  143. D. E. Braun, A. Rivalta, A. Giunchi, N. Bedoya-Martínez, B. Schrode, E. Venuti, R. G. Della Valle and O. Werzer
    Surface induced phenytoin polymorph. 1. Full structure solution by combining grazing incidence X-ray diffraction and crystal structure prediction.
    Crystal Growth & Design 19, 6058-6066 (2019)
    [ doi.org ]

  144. A. Giunchi, A. Rivalta, N. Bedoya-Martínez, B. Schrode, D. E. Braun, O. Werzer, E. Venuti and R. G. Della Valle
    Surface induced phenytoin polymorph. 2. Structure validation by comparing experimental and Density Functional Theory Raman spectra.
    Crystal Growth & Design 19, 6067-6073 (2019)
    [ doi.org ]

  145. V. Kim, K. Broch, V. Belova, Y. Chen, A. Gerlach, F. Schreiber, H. Tamura, R. G. Della Valle, G. D'Avino, I. Salzmann, D. Beljonne, A. Rao and R. Friend
    Singlet exciton fission via an intermolecular charge transfer state in coevaporated pentacene-perfluoropentacene thin films.
    J. Chem. Phys. 151, 164706/1-7 (2019)
    [ doi.org ]

  146. T. Salzillo, R. G. Della Valle, E. Venuti, G. Kociok-Köhn, M. Masino, A. Girlando and A. Brillante
    Solution equilibrium between two structures of Perylene-F2TCNQ charge transfer co-crystals.
    J. Crystal Growth 516, 45-50 (2019)
    [ doi.org ]

    147. 2020
  147. S. d'Agostino, A. Rivalta, B. Schrode, M. Mas-Torrent, A. Brillante, A. Giunchi, L. Pandolfi, O. Werzer, N. Demitri, E. Venuti and R. G. Della Valle
    Crystal alignment of surface stabilized polymorph in thioindigo films.
    Dyes and Pigments 172, 107847/1-9 (2020)
    [ doi.org - www.sciencedirect.com ]

  148. G. D'Avino, S. Duhm, R. G. Della Valle, G. Heimel, M. Oehzelt, S. Kera, N. Ueno, D. Beljonne and I. Salzmann
    Electrostatic interactions shape molecular organization and electronic structure of organic semiconductor blends.
    Chemistry of Materials 32, 1261-1271 (2020)
    [ doi.org ]

  149. M. Masino, T. Salzillo, A. Brillante, R. G. Della Valle, E. Venuti and A. Girlando
    Experimental estimate of Holstein electron-phonon coupling constants in Perylene.
    Adv. Electron. Mater. 6, 2000208/1-7 (2020)
    [ doi.org ]

  150. L. Pandolfi, A. Rivalta, T. Salzillo, A. Giunchi, S. D'Agostino, R. G. Della Valle, A. Brillante and E. Venuti
    In search of surface-induced crystal structures: The case of tyrian purple.
    J. Phys. Chem. C 124, 17702-17710 (2020)
    [ doi.org ]

  151. T. Salzillo, R. G. Della Valle, E. Venuti, A. Brillante, G. Kociok-Köhn, D. Di Nuzzo, M. Masino and A. Girlando
    (Perylene)3-(TCNQF1)2: Yet another member in the series of Perylene-TCNQFx polymorphic charge transfer crystals.
    Crystals 10, 177/1-10 (2020)
    [ doi.org - www.mdpi.com ]

    152. 2021
  152. L. Pandolfi, A. Giunchi, T. Salzillo, A. Brillante, R. G. Della Valle, E. Venuti, F. Grepioni and S. D'Agostino
    The impact of solid solution composition on kinetics and mechanism of [2+2] photodimerization of cinnamic acid derivatives.
    CrystEngComm 23, 1352-1359 (2021)
    [ doi.org ]

  153. L. Pandolfi, A. Giunchi, A. Rivalta, S. D'Agostino, R. G. Della Valle, M. Mas-Torrent, M. Lanzi, E. Venuti and T. Salzillo
    Precursor polymorph determines the organic semiconductor structure formed upon annealing.
    Journal of Materials Chemistry C 9, 10865-10874 (2021)
    [ doi.org ]

  154. A. Rivalta, C. Albonetti, D. Biancone, M. Della Ciana, S. d'Agostino, L. Biniek, M. Brinkmann, A. Giunchi, T. Salzillo, A. Brillante, R. G. Della Valle and E. Venuti
    Growth, morphology and molecular orientation of controlled Indigo thin films on silica surfaces.
    Surfaces and Interfaces 24, 101058/1-10 (2021)
    [ doi.org ]

    155. 2022
  155. A. Giunchi, L. Pandolfi, T. Salzillo, A. Brillante, R. G. Della Valle, S. d'Agostino and E. Venuti
    Visualizing a SCSC [2 + 2] photodimerization through its lattice dynamics: an experimental and theoretical investigation.
    ChemPhysChem 23, e202200168/1-7 (2022)
    [ doi.org ]

    156. 2023
  156. A. Giunchi, L. Pandolfi, R. G. Della Valle, T. Salzillo, E. Venuti and A. Girlando
    Lattice Dynamics of Quinacridone Polymorphs: A Combined Raman and Computational Approach.
    Crystal Growth & Design 23, 6765-6773 (2023)
    [ doi.org ]

    157. Publication list updated on 30-Apr-2024, for raffaele.dellavalle@unibo.it.