CDA The charge decomposition analysis (CDA) has been devised to analyze chemical systems which can be described as donor-acceptor complexes. The electronic and energetic charges associated with the formation of a complex consisting of two fragments A and B are partitioned in terms of the familiar Dewar-Chatt-Duncanson model. The energy analysis is feasible within the Hartree-Fock approximation, while the charge decomposition analysis can also be carried out at correlated levels.

Current Version:   2.1.2 License Type:   ??

Home Site: ftp://ftp.chemie.uni-marburg.de/pub/cda/ Source Code Availability:   Yes Available Binary Packages: Debian Package:   No RedHat RPM Package:   No Other Packages:   No Targeted Platforms: any UNIX system Software/Hardware Requirements: ANSI-C compiler

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