108 research outputs found
Mechanism of the Photochemical Isomerization and Oxidation of 2-Butenedial: A Theoretical 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
Mechanistic dichotomy in the gas-phase addition of NO3 to polycyclic aromatic hydrocarbons: 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
Combustive, Postcombustive, and Tropospheric Butadiyne Oxidation by O2, Following Initial HO Attack. Theoretical Study
First carbon ring closures started by the combustive radical addition of propargyl to butadiyne. A theoretical study
- …