Ab initio calculations relevant to the mechanism of chemical carcinogenesis by N‐nitrosamines. VIII: Effects of hydration on various reactions involved in the formation and metabolism of N‐nitrosamines

R. Bonaccorsi, J. Tomasi, C.A. Reynolds, C. Thomson

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

A number of important reactions involved in the formation and metabolism of N‐nitrosamines have been studied using a modified reaction field method which treats the solute quantum mechanically and the solvent as a polarized dielectric.
Original languageEnglish
Pages (from-to)779-783
Number of pages5
JournalJournal of Computational Chemistry
Volume9
Issue number7
DOIs
Publication statusPublished - Sep 1988
Externally publishedYes

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