Sun Feng, Liu Ran, Suo Yu-Qing, Niu Le-Le, Fu Huan-Yan, Ji Wen-Fang, Li Zong-Liang. First principle study on stretching and breaking process of single-molecule junction: Terminal group effectJ. Acta Physica Sinica, 2019, 68(17): 178502. DOI: 10.7498/aps.68.20190693