2002

Year 2002
  1. M. D'Alessandro, M. D'Abramo, G. Brancato, A. Di Nola and A. Amadei Statistical mechanics and thermodynamics of simulated ionic solutions. J. Phys.Chem. B 106 (45) 11843-11848 ( 2002).icona-pdf
  2. R. Spezia, M. Aschi A. Di Nola and A. Amadei Extension of the Perturbed Matrix Method: application to a water molecule. Chem. Phys. Lett. 365, 450-456 (2002).icona-pdf
  3. M. D'Alessandro, A. Tenenbaum and A. Amadei Coherent Dynamics in a Butane Molecule. Phys. Rev. E 66 (2002).icona-pdf
  4. M. Aschi, D. Roccatano, F. Mazza, A. Di Nola, C. Gallina, E. Gavuzzo, G. Pochetti, M. Pieper and H. Tschesche Computational study of the catalytic domain of human neutrophil collagenase. Specific role of the S-3 and S '(3) subsites in the interaction with a phosphonate inhibitor. J. Comp.-Aided Molecular Design 16(3), 213-225 (2002).icona-pdf
  5. M. Aschi, F. Mazza and A. Di Nola Cation-π interactions between ammonium ion and aromatic rings: an energy decomposition study. J. Mol. Struct. THEOCHEM 587, 177-188 (2002).icona-pdf
  6. M. D'Alessandro, A. Tenenbaum and A. Amadei Dynamical and statistical mechanical characterization of temperature coupling algorithms J. Phys. Chem. B 106, 5050-5057 (2002).icona-pdf
  7. A. Amadei, M. Aschi, R. Spezia and A. Di Nola A first principles polarizable water model for molecular simulations: application to water dimer. J. Mol. Liq. 101, 181-198 (2002).icona-pdf
  8. A. Amadei, M.E.F. Apol, G. Brancato and A. Di Nola Theoretical equations of state for temperature and electro-magnetic field dependence of fluid systems, based on the quasi-Gaussian entropy theory. J. Chem. Phys. 116 (11), 4437-4449 (2002).icona-pdf
  9. M.E.F. Apol, A. Amadei and A. Di Nola Statistical mechanics and thermodynamics of magnetic and dielectric systems based on magnetization and polarization fluctuations: application of the quasi-Gaussian entropy theory. J. Chem. Phys. 116 (11), 4426-4436 (2002).icona-pdf

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