The irreducible bundle: further structure in the kinetic energy distribution.
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.
Jones
Travis E
TE
Molecular Theory Group, Colorado School of Mines, Golden, Colorado 80401, USA. trjones@mines.edu
Eberhart
Mark E
ME