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Pregled bibliografske jedinice broj: 536021

The Estrada Index and Fullerene Isomerism

Fowler, Patrick W.; Graovac, Ante
The Estrada Index and Fullerene Isomerism // The Mathematics and Topology of Fullerenes / Cataldo, Franco ; Graovac, Ante ; Ori, Ottorino (ur.).
Dordrecht: Springer, 2011. str. 265-280 doi:10.1007/978-94-007-0221-9_14

CROSBI ID: 536021 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
The Estrada Index and Fullerene Isomerism

Autori
Fowler, Patrick W. ; Graovac, Ante

Vrsta, podvrsta i kategorija rada
Poglavlja u knjigama, znanstveni

Knjiga
The Mathematics and Topology of Fullerenes

Urednik/ci
Cataldo, Franco ; Graovac, Ante ; Ori, Ottorino

Izdavač
Springer

Grad
Dordrecht

Godina
2011

Raspon stranica
265-280

ISBN
978-94-007-0220-2

Ključne riječi
fullerenes ; fullerene isomers ; Estrada index (EE) ; discriminative properties of EE

Sažetak
Estrada Index (EE) defined as the sum of exponentials of eigenvalues of the adjacency matrix of molecular graph is calculated for sets of general cubic polyhedra and for general and isolated-pentagon fullerenes. Amongst small cubic polyhedra, the "near-fullerenes" and fullerenes minimize EE. Amonst fullerenes, the isolated-pentagon fullerenes minimize EE. The preference for fullerenes over non-fullerenes is significant, but the relative variation of EE with fullerene isomers is tiny (parts per million for general fullerenes, parts per billion for isolated-pentagon fullerenes) and is essentially tracking the number of pentagon adjacencies and hence overall stability.

Izvorni jezik
Engleski

Znanstvena područja
Matematika, Fizika, Kemija



POVEZANOST RADA

Projekti:
098-0982929-2940 - Modeliranje molekula i materijala metodama matematičke i računarske kemije
177-0982929-2940 - Modeliranje molekula i materijala metodama matematičke i računarske kemije
177-0000000-0884 - Diskretni matematički modeli u kemiji (Vukičević, Damir, MZOS ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb,
Prirodoslovno-matematički fakultet, Split,
Sveučilište u Dubrovniku

Profili:

Avatar Url Ante Graovac (autor)

Poveznice na cjeloviti tekst rada:

doi link.springer.com doi.org

Citiraj ovu publikaciju:

Fowler, Patrick W.; Graovac, Ante
The Estrada Index and Fullerene Isomerism // The Mathematics and Topology of Fullerenes / Cataldo, Franco ; Graovac, Ante ; Ori, Ottorino (ur.).
Dordrecht: Springer, 2011. str. 265-280 doi:10.1007/978-94-007-0221-9_14
Fowler, P. & Graovac, A. (2011) The Estrada Index and Fullerene Isomerism. U: Cataldo, F., Graovac, A. & Ori, O. (ur.) The Mathematics and Topology of Fullerenes. Dordrecht, Springer, str. 265-280 doi:10.1007/978-94-007-0221-9_14.
@inbook{inbook, author = {Fowler, Patrick W. and Graovac, Ante}, year = {2011}, pages = {265-280}, DOI = {10.1007/978-94-007-0221-9\_14}, keywords = {fullerenes, fullerene isomers, Estrada index (EE), discriminative properties of EE}, doi = {10.1007/978-94-007-0221-9\_14}, isbn = {978-94-007-0220-2}, title = {The Estrada Index and Fullerene Isomerism}, keyword = {fullerenes, fullerene isomers, Estrada index (EE), discriminative properties of EE}, publisher = {Springer}, publisherplace = {Dordrecht} }
@inbook{inbook, author = {Fowler, Patrick W. and Graovac, Ante}, year = {2011}, pages = {265-280}, DOI = {10.1007/978-94-007-0221-9\_14}, keywords = {fullerenes, fullerene isomers, Estrada index (EE), discriminative properties of EE}, doi = {10.1007/978-94-007-0221-9\_14}, isbn = {978-94-007-0220-2}, title = {The Estrada Index and Fullerene Isomerism}, keyword = {fullerenes, fullerene isomers, Estrada index (EE), discriminative properties of EE}, publisher = {Springer}, publisherplace = {Dordrecht} }

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