𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quantum-chemical characteristics of the unshared pair of electrons in molecules of pyridine and its derivatives

✍ Scribed by Yu. A. Panteleev; A. A. Krasheninnikov


Book ID
112362624
Publisher
Springer
Year
1977
Tongue
English
Weight
514 KB
Volume
13
Category
Article
ISSN
0040-5760

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Accurate quantum-chemical description of
✍ Doreen Mollenhauer; Johannes Flob; Hans-Ulrich Reissig; Elena Voloshina; Beate P πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 165 KB

## Abstract Interaction of gold with pyridine and its derivatives was studied by means of different wavefunction‐based correlation methods and standar DFT functionals as well as accounting for dispersion correction. Comparison of the calculated binding energies with benchmark CCSD(T)results allows

Quantum-chemical investigation of spatia
✍ L. N. Markovsky; O. M. Polumbrik; A. M. Nesterenko πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 251 KB

## Abstract The unrestricted HF method in the INDO approximation with optimized geometry was used to describe the electronic structure of the hetero‐ring of verdazyl and the derivatives of the latter. The results obtained are in good agreement with the experimental EPR spectra of triphenylverdazyl