𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Extended Hückel theory applied to electrophilic substitution in imidazole

✍ Scribed by W. Adam; A. Grimison

Publisher
Elsevier Science
Year
1966
Tongue
French
Weight
407 KB
Volume
22
Category
Article
ISSN
0040-4020

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Electrostatic corrections to extended Hü
Electrostatic corrections to extended Hückel theory
✍ R. Carbó; J. M. Fornos; J. A. Hernández; F. Sanz 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 268 KB

## Abstract An electrostatic correction to the energy of the EH method is deduced from the Hartree energy. A recent correction, due to Anderson and Hoffmann, is easily deduced as a particular case. Some calculations show how the correction can improve the description of stretching problems by EH ca

Self-Consistent methods in Hückel and ex
Self-Consistent methods in Hückel and extended Hückel theories
✍ A. K. Mukhopadhyay; N. G. Mukherjee 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 214 KB

## Abstract A self‐consistent procedure for the Hückel theory, first indicated by Harris [J. Chem. Phys. **48**, 4027 (1968)] has been fully developed. To avoid time consuming repeated orthogonal‐nonorthogonal transformations and diagonalization of large matrices, a steepest descent technique has b