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- W2347248814 abstract "Density functional theory calculations have been performed on fullerenes C40 and its atom endometrial complex M@C40(M=Li,Na,K,Be,Mg,Ca) to put insight into the relationship between their geometrical and electronic.The results show that,in the stable geometry of M@C40,atom located at different positions of the carbon cage.The order of stability: K@C40Na@C40Li@C40;Mg@C40Be@C400Ca@C40." @default.
- W2347248814 created "2016-06-24" @default.
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- W2347248814 date "2013-01-01" @default.
- W2347248814 modified "2023-09-23" @default.
- W2347248814 title "Theoretical Study on M@C_(40) (M=Li、Na、K、Be、Mg、Ca) by DFT Calculation" @default.
- W2347248814 hasPublicationYear "2013" @default.
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