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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| Дата: | 2000 |
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| Автори: | , , |
| Формат: | Стаття |
| Мова: | English |
| Опубліковано: |
Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України
2000
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| Назва видання: | Semiconductor Physics Quantum Electronics & Optoelectronics |
| Онлайн доступ: | http://dspace.nbuv.gov.ua/handle/123456789/121199 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Цитувати: | 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. |
Репозитарії
Digital Library of Periodicals of National Academy of Sciences of Ukraine| id |
irk-123456789-121199 |
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dspace |
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irk-123456789-1211992017-06-14T03:07:37Z 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. 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. 2000 Article 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 en Semiconductor Physics Quantum Electronics & Optoelectronics Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України |
| institution |
Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| collection |
DSpace DC |
| language |
English |
| 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. |
| format |
Article |
| author |
Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. |
| spellingShingle |
Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. Quantum-chemistry calculation of BnNn-rings (n = 1-6) and fulborenes, the fullerene-like molecules BnNn (n = 12, 24, 60) Semiconductor Physics Quantum Electronics & Optoelectronics |
| author_facet |
Sheichenko, D.M. Pokropivny, A.V. Pokropivny, V.V. |
| author_sort |
Sheichenko, D.M. |
| title |
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_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_sort |
quantum-chemistry calculation of bnnn-rings (n = 1-6) and fulborenes, the fullerene-like molecules bnnn (n = 12, 24, 60) |
| publisher |
Інститут фізики напівпровідників імені В.Є. Лашкарьова НАН України |
| publishDate |
2000 |
| url |
http://dspace.nbuv.gov.ua/handle/123456789/121199 |
| 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. |
| series |
Semiconductor Physics Quantum Electronics & Optoelectronics |
| work_keys_str_mv |
AT sheichenkodm quantumchemistrycalculationofbnnnringsn16andfulborenesthefullerenelikemoleculesbnnnn122460 AT pokropivnyav quantumchemistrycalculationofbnnnringsn16andfulborenesthefullerenelikemoleculesbnnnn122460 AT pokropivnyvv quantumchemistrycalculationofbnnnringsn16andfulborenesthefullerenelikemoleculesbnnnn122460 |
| first_indexed |
2023-10-18T20:38:54Z |
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2023-10-18T20:38:54Z |
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