32 research outputs found
Quantum-chemical investigation of the effect of the solvent on the electronic structure and reactivity of molecules. Communication 4. Effect of ionic association and the dielectric continuum on the energetics of a 1,2-proton shift
No full textQuantum-chemical study of the influence of the solvent on the electronic structure and reactivity of molecules. 3. 1,2-proton shift in protonated benzene
No full textRelation between activity and selectivity in electrophilic substituents in five-membered heteroaromatic compounds. 3. Electronic effects of substituents
No full textCorrelation of activity and selectivity in electrophilic substitution reactions of five-membered heteroaromatic compounds. Communication 5. Application of static reactivity indices
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Reactivities of certain aromatic and heteroaromatic compounds in the lower excited triplet state
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Quantum-chemical study of the effect of solvation on the cis,trans-isomerization of furfural and its carbonyl-oxygen protonated forms
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