Publications
1. M. D'Alessandro and A. Tenenbaum, “Chaoticity spectrum in Hamiltonian systems with many degrees of freedom”, Phys. Rev. E 52, R2141 (1995).
2. M. D'Alessandro, A. D'Aquino and A. Tenenbaum, “Coherence angles and coherence times in Hamiltonian systems with many degrees of freedom”, Physica A, 240, 115 (1997).
3. M. D'Alessandro, A. D'Aquino and A. Tenenbaum “Coherence measure in Hamiltonian systems with many degrees of freedom”, Phys. Rev. E 62,4,4809 (2000).
4. M. D'Alessandro, A. Tenenbaum and A. Amadei, “Dynamical and statistical mechanical characterization of temperature coupling algorithms”, J. Phys. Chem. B, 106, 5050 (2002).
5. M. D'Alessandro, A. Tenenbaum and A. Amadei, “Coherent dynamics in a butane molecule”, Phys. Rev. E 66, 020901 (2002).
6. 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, 11843, (2002).
7. M. D'Abramo, M. D'Alessandro, and A. Amadei, “On the use of the quasi gaussian entropy theory in the study of simulated dilute solutions”, J. Chem. Phys. 120, 11, 5226 (2004).
8. M. D'Alessandro, M. Paci and A. Amadei, “Characterization of the conformational behavior of peptide Contryphan VN: a theoretical study”, Biopolymers 74, 448 (2004).
9. A. Amadei, M. D'Alessandro and M. Aschi, “Statistical mechanical modeling of enzyme reactions in complex systems: the reaction free energy surface”, J. Phys. Chem. B 108 16250 (2004).
10. M. D'Alessandro, M. Aschi, M. Paci, A. Di Nola and A. Amadei, “Theoretical modeling of enzyme reactions: the electron transfer of the reduction step in CuZn Superoxide Dismutase”, J. Phys. Chem. B 108 16255 (2004).
11. A. Amadei, F. Marinelli, M. D'Abramo, M. D'Alessandro, M. Anselmi, A. Di Nola and M. Aschi, “Theoretical modeling of vibroelectronic quantum states in complex molecular systems: solvated carbon monoxide, a test case”, J.Chem Phys. 122, 124506 (2005).
12. M. D'Alessandro, F. Marinelli, M. D'Abramo, M. Aschi, A. Di Nola and A. Amadei, “Ground and excited electronic state thermodynamics of acqueous carbon monoxide: a theoretical study”, J.Chem. Phys. 122, 124507 (2005).
13. M. D'Abramo, M. D'Alessandro, A. Di Nola, D. Roccatano and A. Amadei, “Characterization of liquid behaviour by means of local density fluctuations”, J. Mol. Liq. 117, 17, (2005).
14. M. D'Alessandro, M. D'Abramo, M. Paci and A. Amadei, “Theoretical study of the thermodynamics of a solvated peptide: Contryphan Vn”, Physica Scripta T118, 196, (2005).
15. A. Amadei, M. D'Alessandro, M. Paci, A. Di Nola and M. Aschi, ”On the effect on a point mutation on the reactivity of CuZn-Superoxide dismutase: a theoretical study”, J. Phys. Chem. B., 110, 7538, (2006)
16. M. Aschi, M. D'Abramo, F. Ramondo, I. Daidone, M. D'Alessandro, A. Di Nola and A. Amadei,” Theoretical modelling of chemical reactions in Complex environments: the intramolecular proton transfer in acqueous malonaldehyde”, J. Phys. Org. Chem. 19, 518 (2006).
17. A. Amadei, M. D'Abramo, I. Daidone, M. D'Alessandro, A. Di Nola,and M. Aschi, “Statistical mechanical modelling of chemical reactions in complex systems: the kinetics of the Haem carbon monoxide binding reaction in mioglobin” , Theor. Chem. Acc. 117,637-647 (2007)
In preparation:1. M.D'Alessandro, A. Di Lella, Aschi, A. Di Nola and A. Amadei, “Theoretical characterization of structural and energetical properties of water clusters, by means of a simple polarizable water Hamiltonian” submitted to J.Mol Liq.
2. M.D'Alessandro, I.Daidone, A.Di Nola and A.Amadei, “Theoretical modeling of kinetic rate constants based on the diffusion (Fokker-Plank) equation”
3. ”Molecular simulation in presence of a microwave electromagnetic field:the case study of Myoglobin “.