Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes
Review of results of quantum-chemical calculations of potential energy surfaces performed for several families of elementary reactions: 1) successive dehydrogenation of complex alanates of alkali and alkali-earth metals; 2) dissociative adsorption of hydrogen, methane and ethane molecules onto doped...
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| Format: | Article |
| Language: | Russian |
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MIREA - Russian Technological University
2011-10-01
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| Series: | Тонкие химические технологии |
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| Online Access: | https://www.finechem-mirea.ru/jour/article/view/797 |
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| _version_ | 1849343044008017920 |
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| author | O. P. Charkin N. M. Klimenko |
| author_facet | O. P. Charkin N. M. Klimenko |
| author_sort | O. P. Charkin |
| collection | DOAJ |
| description | Review of results of quantum-chemical calculations of potential energy surfaces performed for several families of elementary reactions: 1) successive dehydrogenation of complex alanates of alkali and alkali-earth metals; 2) dissociative adsorption of hydrogen, methane and ethane molecules onto doped aluminum clusters Al@XAl11 with dopants X = B, C, Si, Ge, Li, and Ti; 3) conversion of mеthane into methanol in the presence of oxoferrylporphyrine complexes of (Fe=O)(P)(NН2) type. |
| format | Article |
| id | doaj-art-be37a9859d3b448b8c6108985d39beae |
| institution | Kabale University |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| publishDate | 2011-10-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj-art-be37a9859d3b448b8c6108985d39beae2025-08-20T03:43:11ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752011-10-016598110791Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanesO. P. Charkin0N. M. Klimenko1Институт проблем химической физики РАН, г. ЧерноголовкаМИТХТ им. М.В. ЛомоносоваReview of results of quantum-chemical calculations of potential energy surfaces performed for several families of elementary reactions: 1) successive dehydrogenation of complex alanates of alkali and alkali-earth metals; 2) dissociative adsorption of hydrogen, methane and ethane molecules onto doped aluminum clusters Al@XAl11 with dopants X = B, C, Si, Ge, Li, and Ti; 3) conversion of mеthane into methanol in the presence of oxoferrylporphyrine complexes of (Fe=O)(P)(NН2) type.https://www.finechem-mirea.ru/jour/article/view/797potential energy surfaceelementary reactionshydrogenationmethane oxidationcomplex alanatesdoped aluminum clustersoxoferrylporphyrin |
| spellingShingle | O. P. Charkin N. M. Klimenko Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes Тонкие химические технологии potential energy surface elementary reactions hydrogenation methane oxidation complex alanates doped aluminum clusters oxoferrylporphyrin |
| title | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes |
| title_full | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes |
| title_fullStr | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes |
| title_full_unstemmed | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes |
| title_short | Theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes |
| title_sort | theoretical study of elementary reactions with participation of molecular hydrogen and light alkanes |
| topic | potential energy surface elementary reactions hydrogenation methane oxidation complex alanates doped aluminum clusters oxoferrylporphyrin |
| url | https://www.finechem-mirea.ru/jour/article/view/797 |
| work_keys_str_mv | AT opcharkin theoreticalstudyofelementaryreactionswithparticipationofmolecularhydrogenandlightalkanes AT nmklimenko theoreticalstudyofelementaryreactionswithparticipationofmolecularhydrogenandlightalkanes |