Daniela V Coelho

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Mechanisms of thermal isomerization of allyl tetrazolyl ethers derived from the carbocyclic allylic alcohols cyclohex-2-enol and 3-methylcyclohex-2-enol and from the natural terpene alcohol nerol were investigated. In the process of the syntheses of the three 1-aryl-5-allyloxytetrazoles, their rapid isomerization to the corresponding(More)
This work presents a new full dimensional potential energy surface for the ground singlet state of hydrogen peroxide, H2O2. This potential is based on a 3 × 3 matrix to accurately reproduce all the different dissociation channels in accordance with the Wigner-Witmer rules, namely, O(1D) + H2O(X1A1), OH(X2Π) + OH(X2Π), O2(a1Δg) + H2(X1Σg+) e H(2S) +(More)
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