WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density.

Saved in:
Bibliographic Details
Title: WinXPRO: a program for calculating crystal and molecular properties using multipole parameters of the electron density.
Authors: Stash, Adam, Tsirelson, Vladimir
Source: Journal of Applied Crystallography. Jun2002, Vol. 35 Issue 3, p371. 3p.
Subjects: Crystallography, Computer software
Abstract: Presents the crystallography computer program WinXPRO that enables the calculation of crystal and molecular properties using multipole parameters of the electron density. Local kinetic and potential energies; Electron localization function; Effective crystal potential.
Database: Engineering Source
Description
Abstract:Presents the crystallography computer program WinXPRO that enables the calculation of crystal and molecular properties using multipole parameters of the electron density. Local kinetic and potential energies; Electron localization function; Effective crystal potential.
ISSN:00218898
DOI:10.1107/S0021889802003230