Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Research › peer-review
In work the electronic structure of thin films of metal-containing organic substances-porphyrins, phthalocyanines and graphene - is investigated. Using the method of density functional theory B3LYP/6-31G, PBE0/6-311G** in software package GAUSSIAN 09 we calculated interatomic distances and angles, the electronic energy levels and the ionization potentials of all compounds. Computed values of the physical characteristics of all systems are in good agreement with the experimental values and supplement them.
| Original language | English |
|---|---|
| Title of host publication | 2015 International Conference on "Stability and Control Processes" in Memory of V.I. Zubov, SCP 2015 - Proceedings |
| Editors | LA Petrosyan, AP Zhabko |
| Publisher | Institute of Electrical and Electronics Engineers Inc. |
| Pages | 651-652 |
| Number of pages | 2 |
| ISBN (Print) | 9781467376983 |
| DOIs | |
| State | Published - 2015 |
| Event | International Conference on "Stability and Control Processes" in Memory of V.I. Zubov, SCP 2015 - Петергоф, St. Petersburg, Russian Federation Duration: 5 Oct 2015 → 9 Oct 2015 http://www.apmath.spbu.ru/scp2015/openconf.php |
| Conference | International Conference on "Stability and Control Processes" in Memory of V.I. Zubov, SCP 2015 |
|---|---|
| Abbreviated title | SCP 2015 |
| Country/Territory | Russian Federation |
| City | St. Petersburg |
| Period | 5/10/15 → 9/10/15 |
| Internet address |
ID: 3989986