Ab initio quantum mechanical calculations of p Kas of isolated molecules and molecules undergoing chemical reactions: p Ka of acetic acid during α-proton abstraction
Author:
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/1999/CP/A907913K
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2. Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls;Vincenzo Barone;2012-03-02
3. Improving the study of proton transfers between amino acid side chains in solution: choosing appropriate DFT functionals and avoiding hidden pitfalls;Theoretical Chemistry Accounts;2012-03
4. An accurate density functional theory based estimation of pKa values of polar residues combined with experimental data: from amino acids to minimal proteins;Physical Chemistry Chemical Physics;2012
5. A new sensitive method of dissociation constants determination based on the isohydric solutions principle;Talanta;2010-10-15
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