A QSPR-Approach to the Estimation of the p K HB of Six-Membered Nitrogen-Heterocycles using Quantum Mechanically Derived Descriptors

Descriptors derived from semiempirical molecular orbital calculations have been used to construct a quantitative structure-property relationship for the thermodynamic hydrogen-bond basicity, pKHB, of a series of six-membered aromatic nitrogen-heterocycles

Matthias Hennemann; Timothy Clark

2003

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