G. Pei

Electronic structures and properties of dianionic pentacarbonyls [TM(CO)5]2- (TM = Cr, Mo, W).

Zhong‐Ming Sun, Gerui Pei, Mengyang Li, 2021, Physical chemistry chemical physics : PCCP.

Geometries, electronic structures, and bonding properties of endohedral Group‐14 Zintl clusters TM@E10 (TM = Fe, Co, Ni; E = Ge, Sn, Pb)

Zhimao Yang, Chuncai Kong, Gerui Pei, 2022, J. Comput. Chem..

Endohedral group-14-element clusters TM@E9 (TM = Co, Ni, Cu; E = Ge, Sn, Pb) and their low-dimensional nanostructures: a first-principles study.

Zhimao Yang, Chuncai Kong, Tao Yang, 2021, Physical Chemistry, Chemical Physics - PCCP.

Utilizing the Energy Transfer of Ce4+– and Ce3+–Tb3+ to Boost the Luminescence Quantum Efficiency up to 100% in Borate Glass

Yi-Jing He, Gerui Pei, Jing Liu, 2022, The Journal of Physical Chemistry C.

Stabilities, Electronic Structures, and Bonding Properties of Iron Complexes (E1E2)Fe(CO)2(CNArTripp2)2 (E1E2=BF, CO, N2, CN−, or NO+)**

M. Ehara, Tao Yang, Zhimao Yang, 2020, ChemistryOpen.

Theoretical Insight into 20‐Electron Transition Metal Complexes (C5H5)2TM(E1E2)2 (TM = Cr, Mo, W; E1E2 = CO, N2, BF): Stabilities, Electronic Structures, and Bonding Nature

Zhimao Yang, Chuncai Kong, Mengyang Li, 2021, physica status solidi (b).