The electron donor-acceptor complexes,which undergo intramolecular charge transfer under external stimulus,are an emerging class of materials showing important applications in nonlinear optics,dye-sen
In recent years,two-dimensional nanomaterials have garnered widespread attention for its important theoretical value and broad prospects of application.
Solar energy conversion materials have sprung up in last decades as the key to confront the crisis caused by the depletion of fossil fuel and the excessive emissions of CO2.
B3LYP is currently the most widely used density functional approximation,while the X1 family of methods [1-8],namely X1,X1s and X1se,is a set of neural network based methods that systematically correc
Aromaticity,one of the fascinating topics in chemistry,has attracted considerable attention from both experimental and theoretical chemists for many decades.