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10 items by relevance
1 Conference paper

Structure and stability of complex hydrides – theoretical approach

Lodziana, Zbigniew; Vegge, Tejs

Materials Research Society Symposium Proceedings — 2005, Volume 837

Year: 2005

Language: English

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2 Journal article

Structure and stability of complex metal hydrides - theoretical approach

Lodziana, Zbigniew; Vegge, Tejs

Mrs Online Proceedings Library — 2004, Volume 837, Issue 1, pp. 13-18

In this paper systematic approach to study the structural stability of the complex hydride, LiBH4 is presented. The ground state energies of various symmetry structures are determined by means of Density Functional Theory. Simulated annealing method is used to confirm if ground state structures

Year: 2004

Language: English

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jone ab pifgch mdlk

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