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"Ring-opening and branching in polycarbonates: A density functional-Monte Carlo study"
Jones,R.O. and Akola,J. and Ballone,P., 2005

"Modelling, simulations and monitoring of lamella structure formation in titanium alloys controlled by diffusion redistribution"
Malinov,S. and Katzarov,I. and Sha,W., 2005

"Optimization by quantum annealing: Lessons from simple cases"
Lorenzo Stella and Giuseppe E. Santoro and Erio Tosatti, July 2005

"Fragrance release from the surface of branched poly(amide)s"
Aulenta,F. and Drew,M.G.B. and Foster,A. and Hayes,W. and Rannard,S. and Thornthwaite,D.W. and Youngs,T.G.A., January 2005

"THE OXIDATION OF NIAL: What Can We Learn from Ab Initio Calculations?"
M.W. Finnis and A.Y. Lozovoi and A. Alavi, June 2005

"Automatic generation of matrix element derivatives for tight binding models"
Alin M. Elena and Matthias Meister, October 2005

"Molecular effects in the ionization ofN2,O2, andF2by intense laser fields"
Daniel Dundas and Jan M. Rost, January 2005

"Solvent-induced symmetry breaking: Varying solvent strength"
F. S. Zhang and R. M. Lynden-Bell, February 2005

"Multiphoton double ionization of atoms and molecules by FEL XUV light"
K.T. Taylor and J.S. Parker and D. Dundas and K.J. Meharg and B.J. S. Doherty and D.S. Murphy and J.F. McCann, March 2005

"Current-driven magnetic rearrangements in spin-polarized point contacts"
Maria Stamenova and Stefano Sanvito and Tchavdar N. Todorov, October 2005

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