Journal of computational chemistry
The Sequential C2 Addition Formation Mechanism of [6,6] Fullertube C36+36+12 n Series: A Theoretical Study.
Kexin Ma, Kai Tan, Anan Wu, Xin Lu
Published: 202510.1002/jcc.70274
Abstract
Stimulated by the experimental observation of fullertube [Journal of the American Chemical Society. 2020, 142, 15,614-15,623], a systematic density functional study of the structures and the growth pathway of [6] fullertube C36+36+12n series is perfo…
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