Oxygen-deficient metal oxide based resistance switches are under intensive investigations due to their potential application in memory cell.[1] All the swit
To illustrate the formation mechanism of normal and abnormal N-heterocyclic carbene-carbon dioxide adducts(NHC-CO2 and aNHC-CO2),we implement DFT calculatio
Understanding the catalytic cleavage mechanism of the β–O–4 bond of lignin is of crucial importance for developing efficient depolymerization strategies
Density functional theory calculations were performed on Rh(Ⅲ)-catalyzed synthesis of indolines from arylnitrones and alkynes,which provides an efficient m
Recently,Liu et al(Chem.Sci.2015,6,2297-2301.)reported a green and novel approach to synthesizing α-hydroxy ketones from the hydration of propargylic alcoh
It has long been controversial whether there is an intermediate dark state between the S2 and S1 states of carotenoids.1 Recent two-dimensional electronic s
Irradiation on liquid water and ice by ultraviolet light in the range of 150-200 nm can create volatile OH radicals which react with other organic and inorg
The solvation of excess electrons(EE)in bulk liquid medium shows unusual properties and has been widely studied.Investigations involving the solvation dynam
It is long believed that the Ti3d state of titania which is 0.7-1.0 eV below conduction band minimum(CBM)origins from the defect of oxygen vacancy(Ov)on sur