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Phonons and structures of tetracene polymorphs at low temperature and high pressure
Elisabetta Venuti, Raffaele Guido Della Valle, Luca Farina +3
Crystals of tetracene have been studied by means of lattice phonon Raman spectroscopy as a function of temperature and pressure. Two different phases (polymorphs I and II) have bee…
Towards an effective potential for the monomer, dimer, hexamer, solid and liquid forms of hydrogen fluoride
Raffaele Guido Della Valle, Domenico Gazzillo
We present an attempt to build up a new two-body effective potential for hydrogen fluoride, fitted to theoretical and experimental data relevant not only to the gas and liquid phas…
Quasi Harmonic Lattice Dynamics and Molecular Dynamics calculations for the Lennard-Jones solids
Raffaele Guido Della Valle, Elisabetta Venuti
We present Molecular Dynamics (MD), Quasi Harmonic Lattice Dynamics (QHLD) and Energy Minimization (EM) calculations for the crystal structure of Ne, Ar, Kr and Xe as a function of…