Sfoglia per Autore
Density functional study of polycarbonate. 2. Crystalline analogs, cyclic oligomers and their fragments
1999-01-01 Montanari, B.; Ballone, Pietro Angelo; Jones, R. O.
Polycarbonate simulations with a density functional based force field
1999-01-01 Ballone, Pietro Angelo; Montanari, B.; Jones, R. O.; Hahn, O.
Adiabatic bias molecular dynamics: a method to navigatethe conformational space of complex molecular systems
1999-01-01 Marchi, M.; Ballone, Pietro Angelo
A density functional study of a new family of anti-cancer drugs: taxol, taxotere, epothilone and discodermolide
1999-01-01 Ballone, Pietro Angelo; Marchi,
Zero Temperature Phases of the Electron Gas
1999-01-01 Ortiz, G.; Harris, M.; Ballone, Pietro Angelo
Electron removal energies from density functional computations
1999-01-01 Harris, M.; Ballone, Pietro Angelo
Catalytic reactions of living polymers: density functional study of reactivity of phenol and phenoxides with the cyclic tetramer of polycarbonate
2000-01-01 Ballone, Pietro Angelo; Montanari, B.; Jones, R. O.
The conductivity anomaly in PbF2: anumerical investigation by classical MD and MC simulations
2000-01-01 Zimmer, F.; Ballone, Pietro Angelo; Parrinello, M.; Maier, J.
Charge carrier interactions in ionic conductors: A classicalmolecular-dynamics and Monte Carlo study on AgI
2000-01-01 Zimmer, F.; Ballone, Pietro Angelo; Maier, J.; Parrinello, M.
Structural and vibrational properties of trehalose: A density functional study
2000-01-01 Ballone, Pietro Angelo; Marchi, M; Branca, Caterina; Magazu', Salvatore
Squeezing lubrication films: layering transition for curved solid surfaces with long range elasticity
2000-01-01 Persson, B. N. J.; Ballone, Pietro Angelo
Boundary lubrication: layering transition for curved solid surfaces with long-range elasticity
2000-01-01 Persson, B. N. J.; Ballone, Pietro Angelo
Bain transformation in CuxPd1-x (x similar to 0.5) alloys: An embedded-atom study
2000-01-01 Donato, Mg; Ballone, Pietro Angelo; Giaquinta, Paolo Vittorio
Modelling the phase diagram of transition metal alloys by the embedded atom method
2000-01-01 Donato, Mg; Ballone, Pietro Angelo; Giaquinta, Paolo Vittorio
Density functional study of carbonic acid clusters
2000-01-01 Ballone, Pietro Angelo; Montanari, B.; Jones, R. O.
Relaxation and phase transformations in simple atomic systems with short range interactions
2000-01-01 Costa, Dino; Ballone, Pietro Angelo; Caccamo, Carlo
fixed-node diffusion Monte Carlo computations for closed-shell jellium spheres
2001-01-01 Sottile, F.; Ballone, Pietro Angelo
Density functional study of reactions of phenoxides with polycarbonates
2001-01-01 Ballone, Pietro Angelo; Jones, R. O.
Equilibrium polymerization of cyclic carbonate oligomers
2001-01-01 Ballone, Pietro Angelo; Jones, R. O.
A dielectric continuum molecular dynamics method
2001-01-01 Marchi, M.; Borgis, D.; Levy, N.; Ballone, Pietro Angelo
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