RNA plays a critical role in various biological progresses either for its genetic information orregulatory function.Extensive efforts have been made to explore RNA structures forunderstanding their fu
Metal nanoparticle based cutting is a promising way to produce graphene nanostructures withsmooth and well-aligned edges.To obtain an atomistic understanding of its underlyingmechanisms,we perform a s
The unique electronic and structural properties of graphene oxides(GOs) may offerextraordinary potential in the desigh of high-performance molecular sensors and novelcatalysts.Using the density functi
The mechanisms of palladium-catalysed desulfitative reaction of arylsulfinic acids with arylnitriles to afford ketones have received particular attention in organometallic chemistry.Themechanisms were
Here I am going to report recent research progress in my group,which includes combinationof multiscale simulations to study different materials.By combining atomistic simulation,mesoscale simulation a
The design and discovery of high-performance metal-free catalytic materials for oxygen reduction reaction(ORR)electrocatalysis is vital for the development of fuel cells.By performing density function
In the realm of medicinal chemistry,incorporation of a CF3 group is a common strategy when seeking better drug candidates,leading to significant advances in synthetic methodology for the efficient and
Plasmonic structures with regard to cube-like Ag/AgCl species have been receiving significant attention as visible-light-driven photocatalysts.This stems from their excellent catalytic reactivity,wher
Direct,transition metal-catalyzed C-H activation has emerged as a powerful and promising tool for constructing diverse heterocyclic systems.They usually require that the substrate contains a directing