CHECKDEN: A computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density.

DOI10.1016/S0097-8485(02)00054-2zbMath1038.92047WikidataQ73825521 ScholiaQ73825521MaRDI QIDQ1414256

Luis F. Pacios

Publication date: 20 November 2003

Published in: Computational Biology and Chemistry (Search for Journal in Brave)

zbMATH Keywords

Ab initio calculationsElectron densityFunctions of the electron densityMolecular properties

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Software, source code, etc. for problems pertaining to biology (92-04)

Uses Software

• GAUSSIAN

Cites Work

• Computational tools for the electron localization function topological analysis

This page was built for publication: CHECKDEN: A computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density.