The geometries,electronic structures,absorption spectra and the character of excited state for the reported p-type sensitizers O2,O6 and O7 and designed 1-5
Selective oxidation of propene is widely used to produce important chemical intermediates acrolein and acrylic acid.We used density functional theory plus U
Acetonitrile(CH3CN)has been detected to be abundant in cometary comae,Titans atmosphere and the interstellar medium,and is also considered to be a probable
The exciton dissociations and charge recombinations to a triplet state in the donor-acceptor heterojunction solar cells of [2,6-(4,4-bis(2-ethylhexyl)-4H-cyclop