Prediction of the pKa of Carboxylic Acids Using the ab Initio Continuum-Solvation Model PCM-UAHF-Reference-Cited by-同舟云学术

Prediction of the pKa of Carboxylic Acids Using the ab Initio Continuum-Solvation Model PCM-UAHF

Published:1998-07-29 Issue:33 Volume:102 Page:6706-6712
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Schüürmann Gerrit¹,Cossi Maurizio¹,Barone Vincenzo¹,Tomasi Jacopo¹

Affiliation:

1. Department of Chemical Ecotoxicology, UFZ Centre for Environmental Research, Permoserstrasse 15, D-04318 Leipzig, Germany, Department of Chemistry, University Federico II, via Mezzocannone 4, I-80134 Napoli, Italy, and Department of Chemistry and Chemical Industry, University of Pisa, via Risorgimento 35, I-56126 Pisa, Italy

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp981922f

Reference38 articles.

1. Uncouplers of oxidative phosphorylation.

2. Multivariate mode-of-action analysis of acute toxicity of phenols

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