Estimation of pKa using semiempirical molecular orbital methods. Part 2: application to amines, anilines and various nitrogen containing heterocyclic compounds

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

Research output: Contribution to journalArticleResearchpeer-review

73 Citations (Scopus)
Original languageEnglish
Pages (from-to)473 - 485
Number of pages13
JournalQuantitative Structure-Activity Relationships
Issue number5
Publication statusPublished - 2002

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