No. 24 South Section1, Yihuan Road,
Chengdu, 610064
China
Sichuan University
Perfluoroalkyl substances, Raman spectroscopy, density function theory calculation, Machine learning
Electrochemical nitrogen reduction reaction, high-throughput screening, double-atom catalysts, Density functional theory, nitrogen-doped graphene.
Partition functions, Line intensities, Ultraviolet and Infrared spectrum, PO+
MRCI+Q, partition function, ultraviolet spectrum, spectral intensity, O2+
spin-orbit coupling, Insulator-metal transition, Electronic structure, Anti-ferromagnetism
