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The evolutions of the structure stability, vibrational frequency, frontier orbital, and electronegativity of the unconventional exohedral fullerenes C64X4 (X = H, F, Cl, Br, and I): A density functional study

✍ Scribed by Chunmei Tang; Weihua Zhu; Kaiming Deng

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Electronic structures, stabilities, and

✍ Lei Xu; Xueguang Shao; Wensheng Cai 📂 Article 📅 2010 🏛 Elsevier Science 🌐 English ⚖ 631 KB

The evolutions of the structure stability, vibrational frequency, frontier orbital, and electronegativity of the unconventional exohedral fullerenes C64X4 (X&#xa0;=&#xa0;H, F, Cl, Br, and I): A density functional study