The electronic structure of negatively charged fullerenes: From monomers to dimers

Fereshteh Naderi; Valera Veryazov

doi:10.1063/1.5012303

The electronic structure of negatively charged fullerenes: From monomers to dimers

Fereshteh Naderi, Valera Veryazov

Beräkningskemi

Islamic Azad University

Forskningsoutput: Kapitel i bok/rapport/Conference proceeding › Konferenspaper i proceeding › Peer review

Sammanfattning

Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C₆₀ and fullerene dimers C₁₂₀. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides.

Originalspråk	engelska
Titel på värdpublikation	Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
Förlag	American Institute of Physics (AIP)
Volym	1906
ISBN (elektroniskt)	9780735415966
DOI	https://doi.org/10.1063/1.5012303
Status	Published - 2017 nov. 28
Evenemang	International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017 - Thessaloniki, Grekland Varaktighet: 2017 apr. 21 → 2017 apr. 25

Konferens

Konferens	International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
Land/Territorium	Grekland
Ort	Thessaloniki
Period	2017/04/21 → 2017/04/25

Ämnesklassifikation (UKÄ)

Teoretisk kemi (Här ingår: Beräkningskemi)

Tillgång till dokument

10.1063/1.5012303

Citera det här

@inproceedings{04bf06a2681d47db9af261dcbb929cb7,

title = "The electronic structure of negatively charged fullerenes: From monomers to dimers",

abstract = "Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C60 and fullerene dimers C120. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides.",

author = "Fereshteh Naderi and Valera Veryazov",

year = "2017",

month = nov,

day = "28",

doi = "10.1063/1.5012303",

language = "English",

volume = "1906",

booktitle = "Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017",

publisher = "American Institute of Physics (AIP)",

address = "United States",

note = "International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017 ; Conference date: 21-04-2017 Through 25-04-2017",

}

Naderi, F & Veryazov, V 2017, The electronic structure of negatively charged fullerenes: From monomers to dimers. i Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017. vol. 1906, 030024, American Institute of Physics (AIP), International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017, Thessaloniki, Grekland, 2017/04/21. https://doi.org/10.1063/1.5012303

The electronic structure of negatively charged fullerenes: From monomers to dimers. / Naderi, Fereshteh; Veryazov, Valera.
Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017. Vol. 1906 American Institute of Physics (AIP), 2017. 030024.

Forskningsoutput: Kapitel i bok/rapport/Conference proceeding › Konferenspaper i proceeding › Peer review

TY - GEN

T1 - The electronic structure of negatively charged fullerenes

T2 - International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017

AU - Naderi, Fereshteh

AU - Veryazov, Valera

PY - 2017/11/28

Y1 - 2017/11/28

N2 - Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C60 and fullerene dimers C120. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides.

AB - Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C60 and fullerene dimers C120. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides.

U2 - 10.1063/1.5012303

DO - 10.1063/1.5012303

M3 - Paper in conference proceeding

AN - SCOPUS:85038833101

VL - 1906

BT - Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017

PB - American Institute of Physics (AIP)

Y2 - 21 April 2017 through 25 April 2017

ER -

The electronic structure of negatively charged fullerenes: From monomers to dimers

Sammanfattning

Konferens

Ämnesklassifikation (UKÄ)

Tillgång till dokument

Fingeravtryck

Citera det här