The selective inhibition for JAK2 over the other JAK family kinases(JAK1,JAK3 and TYK2),avoiding the side effects effectively,has shared an immense challeng
According to Sabatier principle,12 13 5 6 7 8 9 10 11 4a 1 2 3 4 should be zero,under this condition the overall reaction has the maximum rate.We analyzed t
The equation of state(EOS)from virial expansion(VE)is used in this work to pave the way for determining the fugacity coefficients of the hydrogen fluid at a
The mechanism for aerobic oxidation of 2,3,6-trimethylphenol(TMP)to 2,3,6-trimethyl-1,4-benzoquinone(TMBQ)catalyzed by CuCl has been studied using DFT calcu
Macrocyclic polyketides,biosynthesized by modular polyketide synthases(PKSs),have been developed into successful pharmaceuticals.Substantial efforts have be
A benchmark DFT study of 17 XC functionals were performed on different types of superhalogens1,2 with high-level CCSD(T)results as the reference.3 The super
In this work,we carried out a comprehensive density functional theory(DFT)study on the basis of a trimer-to-tetramer radical reaction model to assess a cost