Study of Chemical Reactivity of Doped Carbon Nanotubes by Simple Hückel Molecular Orbital Calculations with Matlab Programming
YANG Longfei, ZHANG Yexin, DU Shiyu
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS . 2017, (6): 685 -696 .  DOI: 10.19596/j.cnki.1001-246x.7546