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Ab initio study of the effects of Ag/Mn doping on the electronic structure of LiFePO4

โœ Scribed by Hou, XianHua ;Hu, SheJun ;Li, WeiShan ;Zhao, LingZhi ;Ru, Qiang ;Yu, HongWen ;Huang, ZhaoWen


Book ID
107368348
Publisher
Elsevier
Year
2008
Tongue
English
Weight
295 KB
Volume
53
Category
Article
ISSN
2095-9273

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An ab initio study of the electronic str
โœ R. Ahlrichs; V. Staemmler ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 521 KB

Ab initio caIculatio~~ on the structure and geometry of the three isomers of NzH2 (Parzsdiimide, cifdiimide, and 1,ldihydrodiazine) were performed both on HT: and CI level using px..sLn basis sets with polarization functiotx The nuns uld cis isomers have singlet ground states; the tram isomer is fo