𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio calculations on the 2,3-dihydro-1,4-diazepinium cation

✍ Scribed by C. Thomson; R. Zwaans

Book ID
113258587
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
473 KB
Volume
313
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Ab initio molecular orbital calculations
Ab initio molecular orbital calculations for 3,6-dihydro-1,2-dithiin and 3,6-dihydro-1,2-dioxin
✍ 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