3 items found

Licenses: License Not Specified Groups: Open Access Tags: Biological Sciences not elsewhere classified Computational Biology Infectious Diseases Science Policy gas phase

Filter Results
  • publication

    Catalytic Carbon−Halogen Bond Activation:  Trends in Reactivity, Selectivity,...

    We have theoretically studied the oxidative addition of all halomethanes CH3X (with X = F, Cl, Br, I, At) to Pd and PdCl-, using both nonrelativistic and...
  • publication

    r37980778c78--c1d6a9047178356b3e989265a5a7bd10

    Toward resolving the current controversy regarding the validity of the α-effect, we have examined the reactions of Y-substituted phenyl methanesulfonates 1a−1l with HOO−, OH−,...
  • publication

    Computational Study on the Aminolysis of β-Hydroxy-α,β-Unsaturated Ester via ...

    The possible mechanisms of the aminolysis of N-methyl-3-(methoxycarbonyl)-4-hydroxy-2-pyridone (β-hydroxy-α,β-unsaturated ester) with dimethylamine are investigated at the...