The irreducible bundle: Further structure in the kinetic energy distribution
Abstract
Modern molecular sciences are often concerned with the properties and dynamics of chemical bonds. With the ability to experimentally measure charge density, there is a pressing need to find the relationships between charge density and the properties of chemical bonds. Here we show molecules can be partitioned into unique bond volumes characterized by well defined properties. Moreover, this partitioning recovers unrecognized structure in the kinetic energy distribution.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- May 2009
- DOI:
- Bibcode:
- 2009JChPh.130t4108J
- Keywords:
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- 31.10.+z;
- 33.15.-e;
- Theory of electronic structure electronic transitions and chemical binding;
- Properties of molecules