Ammonia population analysis

Rotthauwe, J. H., Witzel, K. P., and Liesack, W. (1997). The ammonia monooxygenase structural gene amoA as a functional marker molecular fine-scale analysis of namral ammonia-oxidizing populations. Appl. Environ. Microbiol. 63, 4704—4712. 

Poater et al. analysed the effects of solvation on the pairing of electrons in molecules in a series of molecules and in the Menshutkin reaction between ammonia and methyl chloride. AIM atomic populations and localization and delocalization indices have been used for describing the electron-pair characteristics. This analysis shows that solute-solvent interactions modify the electron-pair distribution of the solute increasing the polarization of the molecular bonds. 

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