Elucidation of the conformational properties of N-formylglycine dithio acid by ab initio SCF-MO calculations
Ab initio SCF-MO calculations were carried out for the molecule N-formylglycine dithio acid using STO-3G and 3-21G basis sets. Structures and energies of several conformations of this molecule determined by gradient geometry refinement are reported, and some conformationally dependent local geometry...
| Main Author: | |
|---|---|
| Other Authors: | , |
| Format: | article |
| Language: | eng |
| Published: |
1991
|
| Online Access: | http://hdl.handle.net/10316/10302 |
| Country: | Portugal |
| Oai: | oai:estudogeral.sib.uc.pt:10316/10302 |