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Publisher: Elsevier

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Volume 20, Number 3, March 2001

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Contents
pp. v-vi(2)

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Preface
pp. vii-vii(1)

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Many-body effects on one-electron energies and wave functions in low-dimensional systems
pp. 300-304(5)
Authors: Pulci, O.; Reining, L.; Onida, G.; del Sole, R.; Bechstedt, F.

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An optimal procedure to extract interaction potentials for protein folding
pp. 305-310(6)
Authors: Micheletti, C.; Seno, F.; Maritan, A.; Banavar, J.R.

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Modelling photoreactions in proteins by density functional theory
pp. 311-317(7)
Authors: Molteni, C.; Frank, I.; Parrinello, M.

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Empirical force field for the simulation of a class of chromophores in a photosynthetic center
pp. 318-324(7)
Authors: Ceccarelli, M.; Procacci, P.; Marchi, M.

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Diffusion and Island formation on the ice Ih basal plane surface
pp. 325-336(12)
Authors: Batista, E.R.; Jonsson, H.

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Wannier functions characterization of floating bonds in a-Si
pp. 337-342(6)
Authors: Fornari, M.; Marzari, N.; Peressi, M.; Baldereschi, A.

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First-principles study of Raman intensities in semiconductor systems
pp. 363-370(8)
Authors: Pavone, P.; Steininger, B.; Strauch, D.

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Ab initio calculation of the structural and dynamical properties of layered semiconductors
pp. 371-375(5)
Authors: Adler, C.; Pavone, P.; Schroder, U.

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Theoretical investigation of the lattice dynamics of GaAlSb superlattices
pp. 376-380(5)
Authors: Steininger, B.; Pavone, P.; Strauch, D.

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Computer simulation of the quartz surface: a combined ab initio and empirical potential approach
pp. 381-386(6)
Authors: Koudriachova, M.V.; Beckers, J.V.L.; de Leeuw, S.W.

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Thermodynamic behavior of a carbon schwarzite
pp. 387-393(7)
Authors: Rosato, V.; Celino, M.; Gaito, S.; Benedek, G.

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Self-diffusion of silicon in TiSi2 competing phases by tight-binding molecular dynamics
pp. 394-400(7)
Authors: Iannuzzi, M.; Raiteri, P.; Miglio, L.

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Ground-state properties and excitation energies of cubic SrO and MgO
pp. 401-406(6)
Authors: Cappellini, G.; Finocchi, F.; Bouette-Russo, S.; Noguera, C.

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SO2Cl2, SOCl2: energy dispersive X-ray diffraction, ab initio and molecular dynamics calculation
pp. 407-415(9)
Authors: Meloni, S.; Pieretti, A.; Bencivenni, L.; Rossi Albertini, V.; Sadun, C.; Caminiti, R.

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Stress and reconstruction on (001) transition-metal surfaces
pp. 423-428(6)
Authors: Filippetti, A.; Fiorentini, V.

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New perspectives for the Barkhausen effect
pp. 436-442(7)
Authors: Zapperi, S.; Durin, G.

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Atom manipulation with the STM: nanostructuring, tip functionalization, and femtochemistry
pp. 443-450(8)
Authors: Meyer, G.; Bartels, L.; Rieder, K.

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Electrical instability of thin films driven by Joule heating
pp. 451-455(5)
Authors: Pennetta, C.; Reggiani, L.

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Author index to volume 20
pp. 457-459(3)

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