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20102026
most citedSimulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)

67 citations · 285 across the 15 of their papers we have counts for

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Showing 2014Show all

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cond-mat.mtrl-sci2014

Distributed multipoles from a robust basis-space implementation of the iterated stockholder atoms procedure

Alston J. Misquitta, Anthony J. Stone, Farhang Fazeli

The recently developed iterated stockholder atoms (ISA) approach of Lillestolen and Wheatley (Chem. Commun. {\bf 2008}, 5909 (2008)) offers a powerful method for defining atoms in…