Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea

Gatti, Carlo; R. Saunders, V.; Roetti, C.

doi:10.1063/1.467882

Public

Crystal field effects on the topological properties of the electron density in molecular crystals: The case of urea

Published in The Journal of Chemical Physics • Dec 15, 1994

Authors:

Carlo Gatti

V. R. Saunders

C. Roetti

Abstract

The Quantum Theory of Atoms in Molecules, due to Bader, is applied to periodic systems. Results for molecular and crystalline urea are presented. Changes in both bond critical points and atomic properties due to changes of chemical environment are described. A rationale for the different lengths of ...

Subject

van der Waals force

Hydrogen bond

Electron density

Finding related papers...

Discussions

(0)

No comments yet

Be the first to share your thoughts!