Publication detail

Correlation of Ortho-Substituted N,N-Dimethylanilines Dissociation Constants; Study by B3LYP/6-311G(d,p).

Year: 2004

Type of publication: ostatní - přednáška nebo poster

Name of source: Xth International Conference on Correlation Analysis in Chemistry

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Titles:

Language	Name	Abstract	Keywords
cze	Korelace disociačních konstant ortho substituovaných N,N-dimethylanilinů, studie pomocí B3LYP/6-311G(d,p).	Kvantově-chemické vlastnosti 15 ortho mono a disubstituovaných N,N-dimethylanilinů byly studovány. Vypočítané kvantově-chemické vlastnosti byly korelovány s hodnotami log K. Byla získána lineární závislost mezi hodnotami log K a energii G.
eng	Correlation of Ortho-Substituted N,N-Dimethylanilines Dissociation Constants; Study by B3LYP/6-311G(d,p).	Fifteen ortho mono and disubstituted N,N-dimethylanilines have been studied by quantum-chemical method. The quantum-chemical properties have been calculated. Obtained values have been correlated with log K. Linear relationship between log K and G has been found.

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