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Periodic cages


Diudea, Mircea V.; Silaghi-Dumitescu, Ioan; Graovac, Ante
Periodic cages // Book of Abstracts MATH/CHEM/COMP 2003 / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko (ur.).
Zagreb: Ruđer Bošković Institute, 2003. (predavanje, međunarodna recenzija, sažetak, znanstveni)


Naslov
Periodic cages

Autori
Diudea, Mircea V. ; Silaghi-Dumitescu, Ioan ; Graovac, Ante

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Book of Abstracts MATH/CHEM/COMP 2003 / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko - Zagreb : Ruđer Bošković Institute, 2003

Skup
MATH/CHEM/COMP 2003 - The 18th Dubrovnik International Course & Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences

Mjesto i datum
Dubrovnik, Hrvatska, 23.-28.06.2003

Vrsta sudjelovanja
Predavanje

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
fullerenes; phenylenic nanotubes; closed shell pi-electronic structure; new "zig-zag" cylinder rule

Sažetak
Building of periodic cages starting from phenylenic tubes is illustrated. Spectral data revealed some periodicity in fullerene clusters. The well-known "armchair" cylinder rule predicting properly closed shell pi-electronic structure in tubulenes of nuclearity N = 2k(7 + 3m), m = 0, 1, 2, ?, k = 4 to 7 (k being the size of polar ring), is completed by another cylinder rule. Objects of general formula C13k, k-H[3k, n]-[6] with N =13k + 3kn, n = 1, 2, ..., represent properly closed shell fullerenes, and the rule is named "zig-zag" cylinder rule after the type of nanotube between two caps. Semiempirical calculations support these findings. A constitutive typing enumeration is also given.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
0098039

Ustanove
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Ante Graovac (autor)

Citiraj ovu publikaciju

Diudea, Mircea V.; Silaghi-Dumitescu, Ioan; Graovac, Ante
Periodic cages // Book of Abstracts MATH/CHEM/COMP 2003 / Graovac, Ante ; Pokrić, Biserka ; Smrečki, Vilko (ur.).
Zagreb: Ruđer Bošković Institute, 2003. (predavanje, međunarodna recenzija, sažetak, znanstveni)
Diudea, M., Silaghi-Dumitescu, I. & Graovac, A. (2003) Periodic cages. U: Graovac, A., Pokrić, B. & Smrečki, V. (ur.)Book of Abstracts MATH/CHEM/COMP 2003.
@article{article, year = {2003}, pages = {17}, keywords = {fullerenes, phenylenic nanotubes, closed shell pi-electronic structure, new and \#34, zig-zag and \#34, cylinder rule}, title = {Periodic cages}, keyword = {fullerenes, phenylenic nanotubes, closed shell pi-electronic structure, new and \#34, zig-zag and \#34, cylinder rule}, publisher = {Ru\djer Bo\v{s}kovi\'{c} Institute}, publisherplace = {Dubrovnik, Hrvatska} }