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cond-mat.mtrl-sci2008★ 6 cited
Interplay of chemical pressure and hydrogen insertion effects in from first principles
A. F. Al Alam, S. F. Matar, N. Ouaini +1
Investigations within the local spin density functional theory (LSDF) of the intermetallic hydride system were carried out for discrete model compositions in th…
cond-mat.mtrl-sci2006★ 1 cited
Advances in structure prediction of inorganic compounds
Armel Le Bail
There is a huge and confusing literature about inorganic crystal structure prediction. The word "prediction" is used sometimes as meaning "structure determination" since the proces…