The regular assembly of organic chromophores into ordered supramolecular solids has received lots of attentions for developing high-performance luminescent materials[1].
Type Ⅱ topoisomerase catalyzes the relaxation of supercoiled DNA by transient cleavage and rejoining of both DNA helixes.However,the catalysis employing a combination of nucleobase and divalent metal
In this article,the protonation processes before and after decarboxylation of oro tidine 5 -monophosphate(OMP)catalyzed by orotidine 5-monophosphate decarboxylase(ODCase)is investigated theoretically
In this work,the reaction mechanism of NHC-catalyzed [2+4] annulations reaction between enals and α-amethylene cycloalkanones [1] has been investigated using the DFT method at the M06-2X/6-31G(d,p).
The detailed mechanisms of the cationic cobalt(Ⅲ)catalyzed indole synthesis from the regioselective intermolecular cyclization of N-nitrosoanilines with alkynes were studied using the DFT method at th
Dye-sensitized solar cells(DSSCs)have attracted increasing attention for their ability,which can convert solar light to electricity as well as their easy preparation,low-cost fabrication and efficient
Here we report on the magnetic properties and electronic structures of Cr2MC2T2(M=Ti,or V; T=O,OH,or F)systems investigated by means of first-principles calculations.Results indicate that Cr2MC2T2 can
Intravenous general anesthetics have been used widely to relieve surgical suffering,but available intravenous general anesthetics suffer from tribulations of cumulation with repeated administration.