1999

Year 1999
  1. M. F. E. Apol, A. Amadei, H. J. C. Berendsen and A. Di Nola Derivation of thermal equations of state for quantum systems using the quasi-Gaussian entropy theory. J. Chem .Phys.,  111(10), 4431-4441 (1999).icona-pdf
  2. D. Roccatano, A. Amadei, A. Di Nola and H. J. C. Berendsen A Molecular dynamics study of the 41-56 beta-hairpin from Protein G B1 domain. Proteins Sci., 8(10),  2130-2143 (1999).icona-pdf
  3. A. Amadei, M. E. F. Apol,  G. Chillemi, H.J. C. Berendsen and A. Di Nola Derivation of a general fluid equation of state based on the quasi-Gaussian entropy theory: application to the Lennard-Jones fluid. Molec. Phys. 96(10), 1469-1490 (1999).icona-pdf
  4. M-A. Ceruso, A. Amadei and A. Di Nola Mechanics and dynamics of B1 domain of protein G: role of packing and surface hydrophobic residues. Protein Sci., 8(1), 147-160 (1999).icona-pdf
  5. A. Amadei, M.A. Ceruso and A. Di Nola On the convergence of the coordinates basis set obtained by the essential dynamics of proteins molecular dynamics simulations. Proteins: Structure, Function, and Genetics., 36 , 419-424 (1999).icona-pdf
  6. A. Amadei, B.L. de Groot, M.A. Ceruso, M. Paci, A. Di Nola and H.J.C. Berendsen A  kinetic model for the internal motions of proteins: diffusion between multiple harmonic wells. Proteins: Structure, Function, and Genetics,. 35, 283-292 (1999).icona-pdf
  7. J. N. Harvey, M. Aschi. Spin-Forbidden Dehydrogenation of methoxy cation: a statistical view. Physical Chemistry Chemical Physics, 1, 5555, (1999).icona-pdf
  8. M. Diefenbach, M. Broenstrup, M. Aschi, D. Schroeder and H. Schwarz HCN-synthesis from methane and ammonia: mechanism of Pt+ mediated Carbon-Nitrogen coupling. J. Am.Chem. Soc., 121, 10614, (1999).icona-pdf
  9. M. Aschi and J.N. Harvey, Spin isomerisation of para-substituted phenyl cations. J. Chem. Soc., Perkin Trans. 2, 1999, 1059-1062.icona-pdf
  10. M. Aschi and F. Grandinetti. Unimolecular decay ot the thiomethoxy cation, CH3S+: A computational study on the detailed mechanistica aspects. J. Chem. Phys., 1999, vol.111, 6759-6768.icona-pdf

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