Computation Chemistry at CSRSRC


Brief Description:

TOPOND is a program which implements the Quantum Theory of Atoms in Molecules (QTAM) for both molecules and systems periodic in 1, 2 or 3 dimensions (polymers, slabs and crystals). It is interfaced to CRYSTAL. The program was written by Carlo Gatti.

If you have problems accessing TOPOND at CSRSRC, please contact Dr. Carlo Gatti.

See also: TOPXD, a topological analysis program for experimental static electron density based on Hansen-Coppens multipole formalism.