A novel route for designing C60derivatives with large first hyperpolarizability: Cage-opened cases

Publication year: 2011 Source: Synthetic Metals, Available online 25 September 2011 Liang Zhao, Min Zhang, Lili Shi, Shiling Sun, Shuixing Wu, … Systematic density functional investigations on the structural and electronic properties of C55O5and C54O6, two open-cage oxo-fullerene derivatives, have been performed. Those formed from topmost pentagon and hexagon of C60cleaved with oxygen atoms, have a large circular opening 4.92 Å and 5.99 Å, respectively

Publication year: 2011 Source: Synthetic Metals, Available online 25 September 2011 Liang Zhao, Min Zhang, Lili Shi, Shiling Sun, Shuixing Wu, … Systematic density functional investigations on the structural and electronic properties of C55O5and C54O6, two open-cage oxo-fullerene derivatives, have been performed. Those formed from topmost pentagon and hexagon of C60cleaved with oxygen atoms, have a large circular opening 4.92 Å and 5.99 Å, respectively

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A novel route for designing C60derivatives with large first hyperpolarizability: Cage-opened cases

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