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Theoretical Prediction of Hydrogen-Bond Basicity pK(BHX) Using Quantum Chemical Topology Descriptors

[Image: see text] Hydrogen bonding plays an important role in the interaction of biological molecules and their local environment. Hydrogen-bond strengths have been described in terms of basicities by several different scales. The pK(BHX) scale has been developed with the interests of medicinal chem...

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Библиографические подробности
Главные авторы: Green, Anthony J., Popelier, Paul L. A.
Формат: Artigo
Язык:Inglês
Опубликовано: American Chemical Society 2014
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC4004274/
https://ncbi.nlm.nih.gov/pubmed/24460383
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci400657c
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