𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A theoretical approach to substituent effects: Interaction between directly bonded groups in the isoelectronic series XNH3+, XCH3, and XBH3−

✍ Scribed by Addy Pross; Leo Radom

Book ID
103396632
Publisher
Elsevier Science
Year
1980
Tongue
French
Weight
328 KB
Volume
36
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A theoretical approach to substituent ef
A theoretical approach to substituent effects. Interactions between directly bonded groups in the neutrals XNH2, XOH, and XF and the anions XNH− and XO−
✍ Alan L. Hinde; Addy Pross; Leo Radom 📂 Article 📅 1980 🏛 John Wiley and Sons 🌐 English ⚖ 808 KB

## Abstract __Ab initio__ molecular orbital calculations have been carried out for the neutrals XNH~2~, XOH, and XF and the anions XNH^−^ and XO^−^ with substituents X = Li, BeH, BH~2~, CH~3~, NH~2~, OH, and F. All structures have been fully optimized with the 4‐31G basis set which is found to

A theoretical approach to substituent ef
A theoretical approach to substituent effects. A comparison of the isoelectronic BH, CH3, and NH groups and their interaction with substituents in disubstituted benzenes
✍ Gary Kemister; Addy Pross; Leo Radom; Robert W. Taft 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 638 KB

## Abstract __Ab initio__ molecular orbital theory with the STO‐3G basis set is used to examine both charge and energy interactions in a series of meta‐ and para‐substituted phenylborate anions and toluenes. Comparison of the results is made with data for substituted anilinium cations. It is conclu