Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на этот ресурс:
http://elar.urfu.ru/handle/10995/102225
Полная запись метаданных
Поле DC | Значение | Язык |
---|---|---|
dc.contributor.author | Novoselov, D. | en |
dc.contributor.author | Korotin, D. M. | en |
dc.contributor.author | Anisimov, V. I. | en |
dc.date.accessioned | 2021-08-31T15:02:35Z | - |
dc.date.available | 2021-08-31T15:02:35Z | - |
dc.date.issued | 2016 | - |
dc.identifier.citation | Novoselov D. Spin state transition in the active center of the hemoglobin molecule: DFT + DMFT study / D. Novoselov, D. M. Korotin, V. I. Anisimov. — DOI 10.1134/S002136401610009X // JETP Letters. — 2016. — Vol. 103. — Iss. 10. — P. 658-662. | en |
dc.identifier.issn | 213640 | - |
dc.identifier.other | Final | 2 |
dc.identifier.other | All Open Access, Green | 3 |
dc.identifier.other | https://www.scopus.com/inward/record.uri?eid=2-s2.0-84981294371&doi=10.1134%2fS002136401610009X&partnerID=40&md5=dbb7948ebd08d4ebd63cc7f39e109515 | |
dc.identifier.other | http://arxiv.org/pdf/1602.02963 | m |
dc.identifier.uri | http://elar.urfu.ru/handle/10995/102225 | - |
dc.description.abstract | An ab initio study of electronic and spin configurations of the iron ion in the active center of the human hemoglobin molecule is presented. With a combination of the Density Functional Theory (DFT) method and the Dynamical Mean Field Theory (DMFT) approach, the spin state transition description in the iron ion during the oxidation process is significantly improved in comparison with previous attempts. It was found that the origin of the iron ion local moment behavior both for the high-spin and for the low-spin states in the hemoglobin molecule is caused by the presence of a mixture of several atomic states with comparable statistical probability. © 2016, Pleiades Publishing, Inc. | en |
dc.format.mimetype | application/pdf | en |
dc.language.iso | en | en |
dc.publisher | Maik Nauka-Interperiodica Publishing | en |
dc.rights | info:eu-repo/semantics/openAccess | en |
dc.source | JETP Lett. | 2 |
dc.source | JETP Letters | en |
dc.title | Spin state transition in the active center of the hemoglobin molecule: DFT + DMFT study | en |
dc.type | Article | en |
dc.type | info:eu-repo/semantics/article | en |
dc.type | info:eu-repo/semantics/publishedVersion | en |
dc.identifier.rsi | 27135074 | - |
dc.identifier.doi | 10.1134/S002136401610009X | - |
dc.identifier.scopus | 84981294371 | - |
local.contributor.employee | Novoselov, D., Institute of Metal Physics, ul. S. Kovalevskoi 18, Yekaterinburg, 620990, Russian Federation, Ural Federal University, ul. Mira 19, Yekaterinburg, 620002, Russian Federation | |
local.contributor.employee | Korotin, D.M., Institute of Metal Physics, ul. S. Kovalevskoi 18, Yekaterinburg, 620990, Russian Federation | |
local.contributor.employee | Anisimov, V.I., Institute of Metal Physics, ul. S. Kovalevskoi 18, Yekaterinburg, 620990, Russian Federation, Ural Federal University, ul. Mira 19, Yekaterinburg, 620002, Russian Federation | |
local.description.firstpage | 658 | - |
local.description.lastpage | 662 | - |
local.issue | 10 | - |
local.volume | 103 | - |
local.contributor.department | Institute of Metal Physics, ul. S. Kovalevskoi 18, Yekaterinburg, 620990, Russian Federation | |
local.contributor.department | Ural Federal University, ul. Mira 19, Yekaterinburg, 620002, Russian Federation | |
local.identifier.pure | 1096836 | - |
local.identifier.eid | 2-s2.0-84981294371 | - |
Располагается в коллекциях: | Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC |
Файлы этого ресурса:
Файл | Описание | Размер | Формат | |
---|---|---|---|---|
2-s2.0-84981294371.pdf | 166,79 kB | Adobe PDF | Просмотреть/Открыть |
Все ресурсы в архиве электронных ресурсов защищены авторским правом, все права сохранены.