| dc.creator | Jovanović, Tamara | |
| dc.date.accessioned | 2023-03-12T12:35:43Z | |
| dc.date.available | 2023-03-12T12:35:43Z | |
| dc.date.issued | 2020 | |
| dc.identifier.issn | 1573-4129 | |
| dc.identifier.uri | https://machinery.mas.bg.ac.rs/handle/123456789/5874 | |
| dc.description.abstract | Abstract: In recent years, endohedral fullerene materials in recent years
have been booming. In this work, the N@C60 molecule was selected as an
example to demonstrate the effectiveness of this modulation method based
on external electric field. The total energy, LUMO energy, HOMO energy,
energy gap, infrared spectrum and Raman spectrum of N@C60 were
investigated using density functional theory at the B3LYP/3-21G level.
The results obtained fully illustrate that the modulation method proposed
in this work has extremely high application value, and it is expected to
play a vital role in the application of fullerene materials. | sr |
| dc.language.iso | en | sr |
| dc.rights | openAccess | sr |
| dc.rights.uri | https://creativecommons.org/licenses/by-nc-nd/4.0/ | |
| dc.source | Chemical Physics Letters | sr |
| dc.title | Review of the article "A Modulation Method of Endohedral Fullerene Material: Using the external electric field", verified by Publons, Web of Science | sr |
| dc.type | article | sr |
| dc.rights.license | BY-NC-ND | sr |
| dc.citation.epage | 21 | |
| dc.citation.spage | 1/CPLETT-20-1513 | |
| dc.identifier.fulltext | http://machinery.mas.bg.ac.rs/bitstream/id/14526/Rev-CPLETT-20-1513.pdf | |
| dc.identifier.fulltext | http://machinery.mas.bg.ac.rs/bitstream/id/14527/Ms-CPLETT-20-1513.pdf | |
| dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_machinery_5874 | |
| dc.identifier.wos | webofscience.com/wos/author/record/1672007 | |
| dc.type.version | acceptedVersion | sr |
