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Theoretical study of the effective chemical shielding anisotropy (CSA) in peptide backbone, rating the impact of CSAs on the cross-correlated relaxations in L-alanyl-L-alanine
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SYSNO ASEP 0324911 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Theoretical study of the effective chemical shielding anisotropy (CSA) in peptide backbone, rating the impact of CSAs on the cross-correlated relaxations in L-alanyl-L-alanine Title Teoretická studie efektivní anisotropie tensoru chemického stínění CSA v peptidech, model vlivu CSA na relaxace v L-alanyl-L-alanine peptidu Author(s) Benda, Ladislav (UOCHB-X) RID
Bouř, Petr (UOCHB-X) RID, ORCID
Müller, N. (AT)
Sychrovský, Vladimír (UOCHB-X) RID, ORCIDNumber of authors 4 Source Title Journal of Physical Chemistry B. - : American Chemical Society - ISSN 1520-6106
Roč. 113, č. 15 (2009), s. 5273-5281Number of pages 9 s. Language eng - English Country US - United States Keywords chemical shielding anisotropy ; CSA ; L-alanyl-L-alanine Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400550701 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) IAA400550702 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) MEB060705 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000265030500040 DOI 10.1021/jp8105452 Annotation The calculated dependences of CSAs allow for reliable estimate of the impact of individual CSA mechanisms on magnitude of the cross-correlated relaxation rates. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2009
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