Ganglong Cui

Visible Light‐Induced [2 + 2]‐Cycloaddition and Photo‐Ene Reactions: Spin‐Dependent Catalysis and Quantum Tunneling Effects

ABSTRACT Electron spin plays a vital role in photochemistry and its precise manipulation can enhance catalytic performance. However, the correlation between spin states and catalytic activity is still elusive, especially in the energy transfer (EnT)‐catalyzed photocycloaddition a...

Extrapolating Molecular Correlation Energies to the Complete Basis Set Limit with Symbolic Regression

Abstract Basis set extrapolation is an important strategy for reducing basis set incompleteness error (BSIE) in correlation energy calculations. However, extrapolating correlation energies from double-ζ/triple-ζ (DZ/TZ) levels to the complete basis set (CBS) limit remains challen...