182 research outputs found
Mechanistic dichotomy in the gas-phase addition of NO3 to polycyclic aromatic hydrocarbons: Theoretical study
A simple, direct synthesis of 3-vinylindoles from the carbocation-catalysed dehydrative cross-coupling of ketones and indoles. A combined experimental and computational study
Tuning of the electronic properties of armchair graphene nanoribbons my mild functionalization. Theoretical study of 1ΔgO2 border addition.
Memory Effects in Carbocation Rearrangements: Structural and Dynamic Study of the Norborn-2-en-7-ylmethyl-X Solvolysis Case
Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study
Reaction between propargyl radical and 1,3-butadiene to form five to seven membered rings. Theoretical study
Anthracene and phenanthrene tropospheric oxidation promoted by the nitrate radical in the gas-phase. Theoretical modelistic study
o-Benzenedisulfonimide and its chiral derivatives as Brønsted acid catalyst for one-pot three-component Strecker reaction. Synthetic and mechanistic aspects.
The nature of the light absorption and emission transitions of 4-hydroxybenzophenone in different solvents. A combined computational and experimental study
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