Ab initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10

scientific article published on 01 November 2006

Ab initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10 is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.1021/JP065243D
P698PubMed publication ID17064194

P2093author name stringDavid A Dixon
Keith E Gutowski
P433issue43
P304page(s)12044-12054
P577publication date2006-11-01
P1433published inJournal of Physical Chemistry AQ745688
P1476titleAb initio prediction of the gas- and solution-phase acidities of strong Brønsted acids: the calculation of pKa values less than -10
P478volume110

Reverse relations

cites work (P2860)
Q84623560A comparison of the effects of amide and acid groups at the C-terminus on the collision-induced dissociation of deprotonated peptides
Q39531372Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry's Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds
Q33900007First-principles calculation of pKa for cocaine, nicotine, neurotransmitters, and anilines in aqueous solution
Q89590482Icosahedral Carborane Superacids and their Conjugate Bases Comprising H, F, Cl, and CN Substituents: A Theoretical Investigation of Monomeric and Dimeric Cages
Q57086953Structural and Theoretical Study of Salts of the [B9 H14 ]− Ion: Isolation of Multiple Isomers and Implications for Energy Storage

Search more.