Wei Chen, Run-Feng Chen, Yong-Tao Li, Zhi-Zhou Yu, Ning Xu, Bao-An Bian, Xing-Ao Li, Lian-Hui Wang. Spin-dependent transport properties of a Co-Salophene molecule between graphene nanoribbon electrodes. Acta Physica Sinica, 66(19): 198503, 2017.
 Baoan Bian, Yapeng Zheng, Peipei Yuan, Bin Liao, Wei Chen, Xiuhua An, Xiaotong Mo, Yuqiang Ding. Effect of the substitution of F on the photoswitching behavior in single molecular device. Phys. Lett. A, 381, 2748–2753, 2017.
 Baoan Bian, Yapeng Zheng, Peipei Yuan, Bin Liao, Wei Chen, Weibao Li, Xiaotong Mo, Huaxiu An, Yuqiang Ding. First-principles study on photoswitching behavior and negative differential resistance in single molecule junction. Comput. Theor. Chem, 1115, 185-189, 2017.
 Wei Chen, Weiwei Mao, Baoan Bian, Ning Xu, Runfeng Chen, Xing-ao Li, Lianhui Wang. Spin-dependent transport properties in covalent–organic molecular device with graphene nanoribbon electrodes. Comput. Theor. Chem, 1091, 85–91, 2016.
 Ren Zhang, Wei Chen, Ning Gao, Yiyi Zhu, Weiwei Mao, Liang Chu, Jian Zhang, Jianping Yang, Xing'ao Li, Wei Huang. First principles study on the structural, magnetic, electronic and optical properties of un-doped and La-doped BiFe0.75Mn0.125Ti0.125O3. Phys. Lett. A, 380, 3524–3529, 2016
 Weiwei Mao, Wei Chen, Xingfu Wang, Yiyi Zhu, Yuhui Ma, Hongtao Xue, Liang Chu, Jianping Yang, Xing’ao Li, Wei Huang. Influence of Eu and Sr co-substitution on multiferroic properties of BiFeO3. Ceram. Int, 11, 12838–12842, 2016.
 Ning Gao, Wei Chen, Ren Zhang, Jian Zhang, Zhenli Wu, Weiwei Mao, Jianping Yang, Xing’ao Li, Wei Huang. First principles investigation on the electronic, magnetic and optical properties of Bi0.8M0.2Fe0.9Co0.1O3 (M = La, Gd, Er, Lu). Comput. Theor. Chem, 1084, 36-42, 2016.
 Wei Chen, Runfeng Chen, Baoan Bian, Xing-ao Li, Lianhui Wang. First-principles study of the electronic transport properties of a dihydroazulene-based molecular optical switch. Comput. Theor. Chem, 1067, 114–118, 2015.
 Wei Chen, Ning. Xu, Baolin Wang, Baoan. Bian. The molecular spin filter constructed from 1D organic chain. Phys. Lett. A, 378, 2020–2023, 2014.