𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The Influence of Substituent Groups on the Resonance Stabilization of Benzene. An ab Initio Computational Study

✍ Scribed by Rogers, Donald W.; McLafferty, Frank J.

Book ID
118124905
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
66 KB
Volume
66
Category
Article
ISSN
0022-3263

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

An Ab Initio Study of Substituent Effect
An Ab Initio Study of Substituent Effects on the Electrocyclization of Silyloxyazadienes
✍ Alessandro Bongini; Zhining Xia; Mauro Panunzio πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 127 KB πŸ‘ 1 views

## Abstract The electrocyclization of 4‐substituted 3‐silyloxy‐2‐azadienes to β‐lactams was studied at the MP2/6‐31G\* level of theory and the effect of the substituents on the reactivity of the azadiene and on the stereochemistry of the cyclic products was evaluated. It was shown that the electroc

Ab initio study on the stability of diam
Ab initio study on the stability of diaminocarbenes
✍ Christoph Heinemann; Walter Thiel πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 470 KB

Ab initio calculations at the SCF and correlated levels with triple-zeta doubly polarized basis sets are reported for several diaminocarbenes. Imidazol-2-ylidene, the prototype of the recently isolated stable carbenes, has a significantly higher singlettriplet splitting than the saturated analogue i