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Free Energy and Hidden Barriers of the β‑Sheet Structure of Prion Protein, S. Alexis Paz and Cameron F. Abrams, J. Chem. Theory Comput. (accepted; 2015) DOI: 10.1021/acs.jctc.5b00576

Quantifying the influence of twin boundaries on the deformation of nanocrystalline copper using atomistic simulations, G.J. Tucker, S.M. Foiles, International Journal of Plasticity, 65, 191-205 (2015). DOI: 10.1016/j.ijplas.2014.09.006

Band structure and optical transitions in LaFeO3: Theory and Experiment, M.D. Scafetta, A.M. Cordi, J.M. Rondinelli, and S.J. May, J. Phys.: Condens. Matter, 26, 505502 (2014). DOI: 10.1088/0953-8984/26/50/505502

Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F, T. Tran, P.S. Halasyamani, and J.M. Rondinelli, Inorganic Chemistry, 53, 6241-6251 (2014). DOI: 10.1021/ic500778n