Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60)
Vernadsky National Library of Ukraine
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60)
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| Creator |
Sheichenko, D.M.
Pokropivny, A.V. Pokropivny, V.V. |
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| Description |
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.
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| Date |
2017-06-13T16:47:50Z
2017-06-13T16:47:50Z 2000 |
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| Type |
Article
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| Identifier |
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.
1560-8034 PACS: 36.40.C http://dspace.nbuv.gov.ua/handle/123456789/121199 |
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| Language |
en
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| Relation |
Semiconductor Physics Quantum Electronics & Optoelectronics
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| Publisher |
Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України
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