Contains the keyword CALCULATIONS

Brgoch J, Ran S, Thimmaiah S, Canfield PC, Miller GJ. Determination of a new structure type in the Sc-Fe-Ge-Sn system. J Alloy Compd. 2013;546:300-6. Abstract

Ivanic J, Schmidt MW, Luke B. High-level theoretical study of the NO dimer and tetramer: Has the tetramer been observed? J Chem Phys. 2012;137:214316. Abstract

Miller GJ, Schmidt MW, Wang F, You TS. Quantitative Advances in the Zintl-Klemm Formalism. In: Fassler TF, editor. Zintl Phases: Principles and Recent Developments. Vol 139. Berlin: Springer-Verlag Berlin; 2011. p. 1-55. (Struct Bond; vol 139). Abstract

Sheng HW, Kramer MJ, Cadien A, Fujita T, Chen MW. Highly optimized embedded-atom-method potentials for fourteen fcc metals. Phys Rev B. 2011;83:134118. Abstract

Russell SM, Shen MM, Liu DJ, Thiel PA. Adsorption of sulfur on Ag(100). Surf Sci. 2011;605:520-7. Abstract

Gourdon O, Gout D, Williams DJ, Proffen T, Hobbs S, Miller GJ. Atomic distributions in the gamma-brass structure of the Cu-Zn system: A structural and theoretical study. Inorg Chem. 2007;46:251-60. Abstract