Prediction of Host–Guest Na–Fe Intermetallics at High Pressures

文章来源：Inorg. Chem. 55, 7026 (2016) 作者：Yuanyuan Zhou, Hui Wang, Chunye Zhu, Hanyu Liu, Jo

Stable Calcium Nitrides at Ambient and High Pressures

文章来源：Inorg. Chem. 55, 7550 (2016) 作者：Shuangshuang Zhu, Feng Peng, Hanyu Liu, Arnab Maju

Iodine Anions beyond −1: Formation of LinI (n = 2–5) and Its Interaction with Quasiatoms

文章来源：Inorg. Chem. 55, 9377 (2016) 作者：Jorge Botana, Jakoah Brgoch, Chunju Hou, and Maosh

Structure and Electronic Properties of Fe₂SH₃ Compound under High Pressure

文章来源：Inorg. Chem. 55,11434 (2016) 作者：Shoutao Zhang, Li Zhu, Hanyu Liu, and Guochun Yang

Unexpected superhard phases of Niobium Triborides: first-principles calculations

文章来源：RSC Adv. 6, 49214 (2016) 作者：Xiaofeng Li and Junyi Du

Predicted lithium–iron compounds under high pressure

文章来源：RSC Adv. 6, 66721 (2016) 作者：Yuanyuan Zhou, Qiang Xu, Chunye Zhu, Qian Li, Hany

A new hard phase and physical properties of Tc₂C predicted from first principles

文章来源：RSC Adv. 6, 66066 (2016) 作者：Gangtai Zhang, Yaru Zhao, Tingting Bai, Qun Wei an

Structural transitions and electronic properties of sodium superoxide at high pressures

文章来源：RSC Adv. 6, 67910 (2016) 作者：Naihang Deng, Guochun Yang, Wenyong Wang and Yongq

Pressure-induced the formation of hydrogen bond in KNH2 studied by the first principles

文章来源：RSC Adv. 6, 78678 (2016) 作者：Changbo Chen, Ying Xu, Sihan Wang, Wanqiang Liu, X

Pressure-induced phase transitions of lead iodide

文章来源：RSC Adv. 6, 84604 (2016) 作者：Lihua Yang, Yu Zhang, Jun Wang, Yiding Wang and Wi