The importance of vibrations in modelling complex metal hydrides

Journal of Alloys and Compounds

Volumn 446-447, Issue , 2007, Pages 455-458

  Frankcombe, Terry J ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

Author keywords

Computer simulations; Crystal structure; Phonons

Indexed keywords

COMPUTER SIMULATION; CRYSTALLINE MATERIALS; HYDROGEN STORAGE; PHASE EQUILIBRIA; PHONONS; VIBRATION ANALYSIS;

FIRST PRINCIPLES CALCULATIONS; ZERO POINT ENERGY (ZPE);

HYDRIDES;

EID: 35148861258     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2007.01.050     Document Type: Article

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