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Acta Chimica Sinica  2012, Vol. 70 Issue (01): 71-77    DOI: 10.6023/A1107041
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First-Principles Calculation on Dehydrogenating Properties of LiBH4-X(X=O,F,Cl)Systems
Li Chuanga,b, Zhou Dianwua, Peng Pingb, Wan Longb
a. State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body, Hunan University, Changsha 410082;
b. School of Materials Science and Engineering, Hunan University, Changsha 410082

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