Article ID Journal Published Year Pages File Type
5384782 Chemical Physics Letters 2011 7 Pages PDF
Abstract
► Evolution of the electron density for the HLi⋯NH3 → H2⋯LiNH2 reaction consists of five topological steps. The analysis of ELF functions shows eight steps. ► Full description of ELF requires an analysis of (3, −1) CPs for H-H and Li-H bonds. ► The TS is not associated with any catastrophe of the electron density or ELF field.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
AIM and BET approach for ionic and covalent bond evolution in reaction of hydrogen elimination from ammonia and lithium hydride
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