Pyridine-cyanoanthracene bonded exciplex
(2019) International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019 In AIP Conference Proceedings 2186.- Abstract
Exiplexes are a special kind of molecular complexes, which exist only due to a weak bond in an excited state. The theoretical description of these complexes requires the usage of multiconfigurational theory (CASSCF or RASSCF) followed by second order of perturbation theory. Formation of exiplex complex from pyridine and cyano-anthracene has been studied.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/738be9e1-46dd-483f-a7cf-f09af71337b0
- author
- Bolaño, Iria LU ; Naderi, Fereshteh and Veryazov, Valera LU
- organization
- publishing date
- 2019-12-10
- type
- Chapter in Book/Report/Conference proceeding
- publication status
- published
- subject
- host publication
- Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019
- series title
- AIP Conference Proceedings
- editor
- Simos, Theodore E. ; Kalogiratou, Zacharoula and Monovasilis, Theodore
- volume
- 2186
- article number
- 030010
- publisher
- American Institute of Physics (AIP)
- conference name
- International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019
- conference location
- Rhodes, Greece
- conference dates
- 2019-05-01 - 2019-05-05
- external identifiers
-
- scopus:85076749793
- ISSN
- 0094-243X
- 1551-7616
- ISBN
- 9780735419339
- DOI
- 10.1063/1.5137921
- language
- English
- LU publication?
- yes
- id
- 738be9e1-46dd-483f-a7cf-f09af71337b0
- date added to LUP
- 2020-01-03 14:05:08
- date last changed
- 2024-03-20 03:22:54
@inproceedings{738be9e1-46dd-483f-a7cf-f09af71337b0, abstract = {{<p>Exiplexes are a special kind of molecular complexes, which exist only due to a weak bond in an excited state. The theoretical description of these complexes requires the usage of multiconfigurational theory (CASSCF or RASSCF) followed by second order of perturbation theory. Formation of exiplex complex from pyridine and cyano-anthracene has been studied.</p>}}, author = {{Bolaño, Iria and Naderi, Fereshteh and Veryazov, Valera}}, booktitle = {{Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019}}, editor = {{Simos, Theodore E. and Kalogiratou, Zacharoula and Monovasilis, Theodore}}, isbn = {{9780735419339}}, issn = {{0094-243X}}, language = {{eng}}, month = {{12}}, publisher = {{American Institute of Physics (AIP)}}, series = {{AIP Conference Proceedings}}, title = {{Pyridine-cyanoanthracene bonded exciplex}}, url = {{http://dx.doi.org/10.1063/1.5137921}}, doi = {{10.1063/1.5137921}}, volume = {{2186}}, year = {{2019}}, }