Computational approaches for the prediction of pKa values. [electronic resource]

Autor: Shields, George C. (George Charles), 1959-
Další autoři:
Jazyk: angličtina
Informace o vydání: Boca Raton : CRC Press, [2014]
Předmět:
Druh dokumentu: Bibliographies; Online; Non-fiction; Electronic document
Abstrakt: Summary: "The book describes how one can calculate the acidities and basicities of chemicals (pKa is the dissociation constant). Many drugs, industrial chemicals, biochemicals and pollutants dissociate to form new species under different conditions. The nature of the species present has a profound effect on how the species act, and it is important to be able to estimate which species will be present under different conditions. No other book summarizes how one can estimate the natures of the species present using modern theoretical methods. This book fills that need"-- Provided by publisher.
Databáze: Vybrané kolekce e-knih