MORPHY, a program for an automated “atoms in molecules” analysis
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Popelier, Paul L.A. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 1996
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| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/87rhkfgxtp |
Daftar Isi:
- Abstract The operating manual for a structured FORTAN 77 program called MORPHY is presented. This code performs an automated topological analysis of a molecular electron density and its Laplacian. The program is written in a stylistically homogeneous, transparant and modular manner. The input is compact but flexible and allows for multiple jobs in one deck. The output is detailed and has an attractive lay-out. Critical points in the charge density and its Laplacian can be located in a robust and econo... Title of program: MORPHY Catalogue Id: ADCJ_v1_0 Nature of problem Topological Analysis. Versions of this program held in the CPC repository in Mendeley Data ADCJ_v1_0; MORPHY; 10.1016/0010-4655(95)00113-1 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)