Fullerene C50 isomers: temperature-induced interchange of relative stabilities

Slanina, Zdenĕk; Adamowicz, Ludwik; Bakowies, Dirk; Thiel, Walter

doi:10.1016/0040-6031(92)85169-V

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Fullerene C₅₀ isomers: temperature-induced interchange of relative stabilities

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引用

Slanina, Z., Adamowicz, L., Bakowies, D., & Thiel, W. (1992). Fullerene C₅₀ isomers: temperature-induced interchange of relative stabilities. Thermochimica Acta, 202, 249-254. doi:10.1016/0040-6031(92)85169-V.

引用: https://hdl.handle.net/11858/00-001M-0000-0028-DB33-A

要旨

The species C₅₀ is treated as a system composed of three local energy minima (D_5h, D₃, and C_2v) found in recent modified neglect of diatomic overlap (MNDO) calculations. Although the D5h species corresponds to the deepest minimum it is the most stable structure only up to about 1390 K. Beyond this temperature the D₃ species becomes relatively more populous.