Prediction of the pKa of carboxylic acids using the ab initio continuum-solvation model PCM-UAHF

Journal of Physical Chemistry A

Volumn 102, Issue 33, 1998, Pages 6706-6712

  Schüürmann, Gerrit ^a   Cossi, Maurizio ^b   Barone, Vincenzo ^b   Tomasi, Jacopo ^c  

^a HELMHOLTZ CENTRE FOR ENVIRONMENTAL RESEARCH UFZ   (Germany)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84961981283     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp981922f     Document Type: Article

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