Ab initio study of the Fe-57 quadrupole splitting in the heme models of alpha- and beta-subunits in tetrameric deoxyhemoglobin / Yuryeva E. I.,Oshtrakh M. I. // HYPERFINE INTERACTIONS. - 2005. - V. 165, l. 1-4. - P. 327-331.

ISSN/EISSN:

0304-3843 / нет данных

Type:

Article; Proceedings Paper

Abstract:

Ab initio X alpha discrete variation method was used for calculation of quadrupole splitting for the rough heme models in alpha- and beta-subunits of tetrameric deoxyhemoglobin accounting small stereochemical variations. The differences of theoretical values of quadrupole splitting for these heme models were obtained.

Author keywords:

quadrupole splitting; deoxyhemoglobin; heme models; X alpha-DVM calculation ELECTRONIC-STRUCTURE; MOSSBAUER-SPECTRA; DEOXYMYOGLOBIN; FEATURES

DOI:

10.1007/s10751-006-9279-4

Web of Science ID:

ISI:000243551500051

Соавторы в МНС:

—

Другие поля

Поле	Значение
Note	28th International Conference on the Applications of the Mossbauer Effect (ICAME 2005), Montpellier, FRANCE, SEP 04-09, 2005
Organization	LAMMI UMR; CNRS
Publisher	SPRINGER
Address	VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
Language	English
Keywords-Plus	ELECTRONIC-STRUCTURE; MOSSBAUER-SPECTRA; DEOXYMYOGLOBIN; FEATURES
Research-Areas	Physics
Web-of-Science-Categories	Physics, Atomic, Molecular \& Chemical; Physics, Condensed Matter; Physics, Nuclear
Author-Email	oshtrakh@mail.utnet.ru
ResearcherID-Numbers	Oshtrakh, Mikhail/L-8342-2016
ORCID-Numbers	Oshtrakh, Mikhail/0000-0002-2937-5194
Number-of-Cited-References	13
Usage-Count-Last-180-days	1
Usage-Count-Since-2013	3
Journal-ISO	Hyperfine Interact.
Doc-Delivery-Number	126YM