Matlab编程的Hückel分子轨道法计算研究掺杂纳米碳管的化学反应性
杨龙飞, 张业新, 都时禹
Study of Chemical Reactivity of Doped Carbon Nanotubes by Simple Hückel Molecular Orbital Calculations with Matlab Programming
YANG Longfei, ZHANG Yexin, DU Shiyu
计算物理
.
2017, (6): 685
-696
.
DOI: 10.19596/j.cnki.1001-246x.7546
