𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Calculation of the nucleophilic superdelocalizability by the CNDO/2 method

✍ Scribed by J. S. Gómez-Jeria


Publisher
John Wiley and Sons
Year
1982
Tongue
English
Weight
269 KB
Volume
71
Category
Article
ISSN
0022-3549

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Calculations on the pyrazine-lithium sys
✍ S. Miertuš; O. Kyseľ 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 261 KB

Thhe restricted CNDOl.5 LHP method hss bern employed TO calculate the pymzil~\*z-lithium systcm\_The ch~ge transfer from lithium to pyrazinc is interpreted. It is shown that Li+ lias in the plant: of the pyrazine ring in the direction of the nitrogen lone-pair electrons. The stabilization of this io

The calculation of molar polarizabilitie
✍ David F. V. Lewis 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 459 KB

Results of molecular orbital (MO) calculations by the complete neglect of differential overlap (CNDO/2) method on 50 small molecules are reported. The summation of calculated atomic polarizabilities are equated with molecular polarizabilities, and these are compared with experimentally determined Va

Calculation of dipole moments of some he
✍ N.S. Hush; J.R. Yandle 📂 Article 📅 1967 🏛 Elsevier Science 🌐 English ⚖ 189 KB

Dipole moments of furan, pyrrole, pyridine, pyrimidind and pyridazine have been calculated by the CNDO/II approximate SCF molecular orbital method, with experimental or assumed molecular geometry. The absolute vsiues are in good agreement with experimental data.