𝔖 Bobbio Scriptorium
✦   LIBER   ✦

1,2-Dilithioethane. A molecular orbital study

✍ Scribed by Kos, Alexander J.; Jemmis, Eluvathingal D.; Schleyer, Paul von Rague; Gleiter, Rolf; Fischbach, Ursula; Pople, John A.

Book ID
126325580
Publisher
American Chemical Society
Year
1981
Tongue
English
Weight
750 KB
Volume
103
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

H2on MoS2: a molecular orbital study
H2on MoS2: a molecular orbital study
✍ R.Pis Diez; A.H. Jubert πŸ“‚ Article πŸ“… 1990 πŸ› Elsevier Science 🌐 English βš– 403 KB
Thermal dissociation of 1,2-dioxethane.
Thermal dissociation of 1,2-dioxethane. III. Localized molecular-orbital study
✍ Rifaat Hilal πŸ“‚ Article πŸ“… 1981 πŸ› John Wiley and Sons 🌐 English βš– 625 KB

## Abstract The localized MO's (LMO's) of 1,2‐dioxethane in its ground state and along the dissociation reaction path (to formaldehyde products) are generated using Boys' criteria for localization. The total charge density in each LMO is partitioned into atomic and overlap densities and the binding

A molecular orbital study of protonated
A molecular orbital study of protonated N2O
✍ Koichi Yamashita; Keiji Morokuma πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 484 KB

The structures of isomers of protonated NzO in the ground state are determined by the ab initio MP2 gradient method with a 6-3 IG\* basis set. Calculations at the MP4SDQ16-3 I lG\*\* level predict that the 0-protonated NZO is the most stable isomer and is lower in energy by 7.1 kcahmol than the N-pr