Ab Initio Calculations of Absolute pKa Values in Aqueous Solution II. Aliphatic Alcohols, Thiols, and Halogenated Carboxylic Acids-Reference-Cited by-同舟云学术

Ab Initio Calculations of Absolute pKa Values in Aqueous Solution II. Aliphatic Alcohols, Thiols, and Halogenated Carboxylic Acids

Published:1999-12-07 Issue:11 Volume:104 Page:2402-2409
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Silva Clarissa O.¹,da Silva Edilson C.¹,Nascimento Marco Antonio Chaer¹

Affiliation:

1. Departamento de Físico-Química, Instituto de Química, Universidade Federal do Rio de Janeiro, CT, bloco A, sala 412, Cidade Universitária - Ilha do Fundão, Rio de Janeiro, RJ, Brazil CEP 21949-900

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp992103d

Reference37 articles.

1. Modelling pKaof Carboxylic Acids and Chlorinated Phenols

2. Organic Chemistry;Stewart R.,1985

3. Determination of acidity constants

4. A priori pKa calculations and the hydration of organic anions

5. Schüürmann, G.Quantitative Structure−Activity Relationships inEnvironmental Sciences−VII; Chen, F., Schüürmann, G., Eds.; SETAC Press: Pensacola, FL, 1997; p 225.

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