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Entries: 1-9  
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Charge carrier interactions in ionic conductors: A classical molecular-dynamics and Monte Carlo study on AgI
Authors: Zimmer, F.; Ballone, P.; Maier, J.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Journal of Chemical Physics
Volume: 112
Start Page: 6416
End Page: 6423
Document Type: Article
ID: 182253.0
Reply on comment on "Zero temperature phases of the electron gas" - Ortiz et al.
Authors: Ortiz, G.; Harris, M.; Ballone, P.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Physical Review Letters
Volume: 84
Start Page: 1843
End Page: 1843
Document Type: Article
ID: 181711.0
The conductivity anomaly in PbF2: a numerical investigation by classical MD and MC simulations
Authors: Zimmer, F.; Ballone, P.; Parrinello, M.; Maier, J.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Solid State Ionics
Volume: 127
Start Page: 277
End Page: 284
Document Type: Article
ID: 182254.0
Electron removal energies from density functional computations.
Authors: Harris, M.; Ballone, P.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Chemical Physics Letters
Volume: 303
Start Page: 420
End Page: 426
Document Type: Article
ID: 180745.0
Polycarbonate simulations with a density functional based force field
Authors: Ballone, P.; Montanari, B.; Jones, R. O.; Hahn, O.
Date of Publication (YYYY-MM-DD): 1999
Title of Journal: Journal of Physical Chemistry A
Volume: 103
Issue / Number: 27
Start Page: 5387
End Page: 5398
Document Type: Article
ID: 498758.0
A comparative study of O2, CO, and NO binding to iron-porphyrin.
Authors: Rovira, C.; Kunc, K.; Hutter, J.; Ballone, P.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1998
Title of Journal: International Journal of Quantum Chemistry
Volume: 69
Start Page: 31
End Page: 35
Document Type: Article
ID: 180378.0
Collective excitations of simple metal clusters by the quantum Monte Carlo method.
Authors: Harris, M.; Ballone, P.
Date of Publication (YYYY-MM-DD): 1998
Title of Journal: Solid State Communications
Volume: 105
Start Page: 725
End Page: 729
Document Type: Article
ID: 182988.0
Early oxidation stages of Mg(0001): a density functional study.
Authors: Bungaro, C.; Noguera, C.; Ballone, P.; Kress, W.
Date of Publication (YYYY-MM-DD): 1997
Title of Journal: Physical Review Letters
Volume: 79
Start Page: 4433
End Page: 4436
Document Type: Article
ID: 182896.0
Equilibrium geometries and electronic structure of iron-porphyrin complexes: A density functional study.
Authors: Rovira, C.; Kunc, K.; Hutter, J.; Ballone, P.; Parrinello, M.
Date of Publication (YYYY-MM-DD): 1997
Title of Journal: Journal of Physical Chemistry A
Volume: 101
Start Page: 8914
End Page: 8925
Document Type: Article
ID: 180377.0
Entries: 1-9  
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