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Hydrogen storage in lithium-decorated benzene complexes

✍ Scribed by Ping Li; Sheng Hua Deng; Li Zhang; Guo Hong Liu; Jiang Ying Yu

Book ID
119262468
Publisher
Elsevier Science
Year
2012
Tongue
English
Weight
486 KB
Volume
37
Category
Article
ISSN
0360-3199

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## Abstract __Ab initio__ complete optimizations at MP2/6‐31++G\*\* level have been performed in the T‐shaped geometry of the benzene–benzene and benzene–naphthalene complexes. To check the effect of the basis set superposition error (BSSE), optimizations have been done in the BSSE corrected and BS