Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60)

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Фізико-технічні та математичні науки
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Відділення фізики і астрономії
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Semiconductor Physics Quantum Electronics & Optoelectronics
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Semiconductor Physics Quantum Electronics & Optoelectronics, 2000, том 3
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Semicond. Physics Quantum Electronics & Optoelectronics, 2000, № 4
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dc.contributor.author	Sheichenko, D.M.
dc.contributor.author	Pokropivny, A.V.
dc.contributor.author	Pokropivny, V.V.
dc.date.accessioned	2017-06-13T16:47:50Z
dc.date.available	2017-06-13T16:47:50Z
dc.date.issued	2000
dc.identifier.citation	Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) / D.M. Sheichenko, A.V. Pokropivny, V.V. Pokropivny // Semiconductor Physics Quantum Electronics & Optoelectronics. — 2000. — Т. 3, № 4. — С. 545-549. — Бібліогр.: 19 назв. — англ.	uk_UA
dc.identifier.issn	1560-8034
dc.identifier.other	PACS: 36.40.C
dc.identifier.uri	http://dspace.nbuv.gov.ua/handle/123456789/121199
dc.description.abstract	Electronic structure of the boron nitride rings and fullerene-like BN-molecules (the fulborenes) are calculated using MNDO, AM1, Extended Huckel, INDO and ab initio (STO-3G) methods. The fulborene B⁶⁰N⁶⁰ is confirmed as the boron nitride analogue of buckminster-fullerene C⁶⁰. Comparisons with other calculations are presented and possible applications as nanoporous materials and photonic crystals are discussed.	uk_UA
dc.language.iso	en	uk_UA
dc.publisher	Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України	uk_UA
dc.relation.ispartof	Semiconductor Physics Quantum Electronics & Optoelectronics
dc.title	Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60)	uk_UA
dc.type	Article	uk_UA
dc.status	published earlier	uk_UA