The paper discusses some aspects of the electron lone-pairs in H-bonded structures: their role in determining the short-range structure and the effect of the environment on the electron density...
Keywords: Hydrogen Bond Directionality, Role of the Lone Pairs, Topological Considerations, Water Dimer, Water-Hydroxide Ion
07/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag