论文部分内容阅读
Understanding the chemistry of BNNT is a crucial step toward their ultimate prac- tical use. A comparative study of Reactions A (ASWCNT (5,5) and CCl2) and B (ASWBNNT (5,5) and CCl2) have been performed by using ONIOM (B3LYP/6-31G: AM1) method in Gaussian