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Pyridine-cyanoanthracene bonded exciplex

Bolaño, Iria LU ; Naderi, Fereshteh and Veryazov, Valera LU orcid (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:
author
; and
organization
publishing date
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}},
}