Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60)
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...
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| Veröffentlicht in: | Semiconductor Physics Quantum Electronics & Optoelectronics |
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| Datum: | 2000 |
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| Format: | Artikel |
| Sprache: | Englisch |
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Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України
2000
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/121199 |
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| Zitieren: | 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. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| _version_ | 1862716091651850240 |
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| author | Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. |
| author_facet | Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. |
| citation_txt | 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. |
| collection | DSpace DC |
| container_title | Semiconductor Physics Quantum Electronics & Optoelectronics |
| 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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| first_indexed | 2025-12-07T18:02:42Z |
| format | Article |
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| id | nasplib_isofts_kiev_ua-123456789-121199 |
| institution | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| issn | 1560-8034 |
| language | English |
| last_indexed | 2025-12-07T18:02:42Z |
| publishDate | 2000 |
| publisher | Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України |
| record_format | dspace |
| spelling | Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. 2017-06-13T16:47:50Z 2017-06-13T16:47:50Z 2000 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 https://nasplib.isofts.kiev.ua/handle/123456789/121199 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. en Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України Semiconductor Physics Quantum Electronics & Optoelectronics Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) Article published earlier |
| spellingShingle | Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. |
| title | Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) |
| title_full | Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) |
| title_fullStr | Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) |
| title_full_unstemmed | Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) |
| title_short | Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) |
| title_sort | quantum-chemistry calculation of bnnn-rings (n = 1-6) and fulborenes, the fullerene-like molecules bnnn (n = 12, 24, 60) |
| url | https://nasplib.isofts.kiev.ua/handle/123456789/121199 |
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