𝔖 Bobbio Scriptorium
✦   LIBER   ✦

2,5-Dioxybicyclo[2.2.2]octane-3,6-diones. A conformational study by ab initio molecular orbital methods and molecular mechanics calculations

✍ Scribed by Arvi Rauk; Carlos Jaime; Igor V. Vystorop; Victor M. Anisimov; Remir G. Kostyanovsky


Book ID
113258857
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
756 KB
Volume
342
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Ab initio molecular orbital calculations
✍ Henry N. Po; Fillmore Freeman; Choonsun Lee; Warren J. Hehre πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 717 KB

## Abstract Optimized geometries and total energies for the conformers of 3,6‐dihydro‐1,2‐dithiin (2) and 3,6‐dihydro‐1,2‐dioxin (3) were calculated at several __ab initio__ MO levels: RHF/3‐21G(\*), RHF/6‐31G\*, MP2/6‐31G\*, and MP2/6‐31G\*/ /RHF/3‐21G(\*). For the dioxin, in addition to the above