Estimation of pKa using semiempirical molecular orbital methods. Part 1: application to phenols and carboxylic acids

Benjamin G Tehan, Edward John Lloyd, Margaret G Wong, Will R Pitt, John G Montana, David T Manallack, Emanuela Gancia

Research output: Contribution to journalArticleResearchpeer-review

109 Citations (Scopus)
Original languageEnglish
Pages (from-to)457 - 472
Number of pages16
JournalQuantitative Structure-Activity Relationships
Issue number5
Publication statusPublished - 2002

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