Research output: Contribution to journal › Article › peer-review
Structural parameters, IR spectra, 1H and 13C NMR spectra, quadrupole moments, and dipole polarizabilities of seven [n]staffanes with a distance between the terminal carbon atoms of up to 22.0 Å have been determined by DFT quantum chemical calculations at the PBE0/cc-pVTZ level of theory.
| Translated title of the contribution | Квантовохимический расчет спектроскопических и фотоэлектронных свойств [n]стаффанов |
|---|---|
| Original language | English |
| Pages (from-to) | 2641-2646 |
| Number of pages | 6 |
| Journal | Russian Journal of General Chemistry |
| Volume | 86 |
| Issue number | 12 |
| DOIs | |
| State | Published - 2016 |
ID: 9442322