Quantum chemical analysis of the energy of proton transfer from phenol and chlorophenols to H2O in the gas phase and in aqueous solution
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.477614
Reference28 articles.
1. Application of the multiple computer automated structure evaluation methodology to a quantitative structure-activity relationship study of acidity
2. A Rigorous Test for SPARC's Chemical Reactivity Models: Estimation of More Than 4300 Ionization pKas
3. Acidities of Alcohols and Carboxylic Acids: Effect of Electron Correlation
4. Origin of the Acidity of Enols and Carboxylic Acids
5. Free energy calculations: a breakthrough for modeling organic chemistry in solution
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