Search results
- 1.0541429 - ÚMCH 2022 RIV CH eng J - Journal Article
Czernek, Jiří - Brus, Jiří
A volumetric analysis of the 1H NMR chemical shielding in supramolecular systems.
International Journal of Molecular Sciences. Roč. 22, č. 7 (2021), č. článku 3333. E-ISSN 1422-0067
R&D Projects: GA MŠMT(CZ) LTAUSA18011
Research Infrastructure: e-INFRA CZ - 90140; ELIXIR-CZ - 90047
Institutional support: RVO:61389013
Keywords : proton NMR * chemical shielding * antiaromaticity
OECD category: Physical chemistry
Impact factor: 6.208, year: 2021
Method of publishing: Open access
https://www.mdpi.com/1422-0067/22/7/3333
Permanent Link: http://hdl.handle.net/11104/0319042 - 2.0504683 - ÚMCH 2020 RIV CH eng J - Journal Article
Czernek, Jiří - Brus, Jiří
Exploring accuracy limits of predictions of the 1H NMR chemical shielding anisotropy in the solid state.
Molecules. Roč. 24, č. 9 (2019), s. 1-11, č. článku 1731. E-ISSN 1420-3049
R&D Projects: GA MŠMT(CZ) LO1507
Institutional support: RVO:61389013
Keywords : chemical shielding anisotropy * MAS NMR * plane-waves DFT
OECD category: Polymer science
Impact factor: 3.267, year: 2019
Method of publishing: Open access
https://www.mdpi.com/1420-3049/24/9/1731/pdf
Permanent Link: http://hdl.handle.net/11104/0296393 - 3.0359614 - ÚMCH 2012 CZ eng A - Abstract
Czernek, Jiří
Predicting the chemical shielding of crystalline forms of peptides.
26th NMR Valtice (Solid-state NMR). Valtice: -, 2011 - (Marek, R.; Novotný, J.). C-11. ISBN 978-80-86441-34-4.
[NMR Valtice (Solid-state NMR). Central European NMR Meeting /26./. 01.05.2011-04.05.2011, Valtice]
R&D Projects: GA MŠMT 2B08021
Institutional research plan: CEZ:AV0Z40500505
Keywords : NMR * chemical shielding
Subject RIV: CB - Analytical Chemistry, Separation
Permanent Link: http://hdl.handle.net/11104/0197370 - 4.0324911 - ÚOCHB 2009 RIV US eng J - Journal Article
Benda, Ladislav - Bouř, Petr - Müller, N. - Sychrovský, Vladimír
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.
[Teoretická studie efektivní anisotropie tensoru chemického stínění CSA v peptidech, model vlivu CSA na relaxace v L-alanyl-L-alanine peptidu.]
Journal of Physical Chemistry B. Roč. 113, č. 15 (2009), s. 5273-5281. ISSN 1520-6106. E-ISSN 1520-5207
R&D Projects: GA AV ČR IAA400550701; GA AV ČR IAA400550702; GA MŠMT MEB060705
Institutional research plan: CEZ:AV0Z40550506
Keywords : chemical shielding anisotropy * CSA * L-alanyl-L-alanine
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.471, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005208 - 5.0189215 - UMCH-V 20033170 RIV US eng J - Journal Article
Czernek, Jiří
Influence of stacking interactions on NMR chemical shielding tensors in benzene and formamide homodimers as studied by HF, DFT and MP2 calculations.
Journal of Physical Chemistry A. Roč. 107, č. 19 (2003), s. 3952-3959. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR KJB4050311
Institutional research plan: CEZ:AV0Z4050913
Keywords : NMR * chemical shielding tensor * ab initio
Subject RIV: CD - Macromolecular Chemistry
Impact factor: 2.792, year: 2003
Permanent Link: http://hdl.handle.net/11104/0002639 - 6.0188825 - UMCH-V 20023090 RIV US eng J - Journal Article
Czernek, Jiří
An ab initio study of hydrogen bonding effects on the 15N and 1H chemical shielding tensors in the Watson-Crick base pairs.
Journal of Physical Chemistry A. Roč. 105, č. 8 (2001), s. 1357-1365. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/99/0311; GA ČR GA203/99/0576
Institutional research plan: CEZ:AV0Z4050913
Keywords : hydrogen bonding effect * chemical shielding tensor * Watson-Crick base pairs
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.630, year: 2001
Permanent Link: http://hdl.handle.net/11104/0002576 - 7.0105792 - UMCH-V 20043363 PL eng A - Abstract
Czernek, Jiří
Toward a fundamental understanding of NMR chemical shielding in nucleic acids.
Book of Abstracts. Cracow: Faculty of Materials Science, AGH University of Science and Technology, Cracow, 2004 - (Handke, M.; Hasik, M.; Paluszkiewicz, C.). s. 108. ISBN 83-89541-21-1.
[European Congress on Molecular Spectroscopy /27./. 05.09.2004-10.09.2004, Cracow]
R&D Projects: GA AV ČR KJB4050311
Keywords : NMR * ab initio * chemical shielding
Subject RIV: CD - Macromolecular Chemistry
Permanent Link: http://hdl.handle.net/11104/0012990 - 8.0101299 - UMCH-V 20043019 CZ eng A - Abstract
Brus, Jiří - Jegorov, A.
Through-bonds and through-space solid-state NMR correlations at natural isotopic abundance: signal assignment and structural study of simvastatin.
19th NMR Valtice - Abstracts. Brno: Masarykova Univerzita, 2004. s. 27. ISBN 80-210-3352-5.
[Spectroscopic Conference /19./. 19.04.2004-21.04.2004, Valtice]
R&D Projects: GA AV ČR KSK4050111
Keywords : NMR * ab initio * chemical shielding
Subject RIV: CD - Macromolecular Chemistry
Permanent Link: http://hdl.handle.net/11104/0008733 - 9.0101298 - UMCH-V 20043018 CZ eng A - Abstract
Czernek, Jiří
Understanding chemical shielding tensors in nucleic acids.
19th NMR Valtice - Abstracts. Brno: Masarykova Univerzita, 2004. s. 24. ISBN 80-210-3352-5.
[Spectroscopic Conference /19./. 19.04.2004-21.04.2004, Valtice]
R&D Projects: GA AV ČR KJB4050311
Keywords : NMR * ab initio * chemical shielding
Subject RIV: CD - Macromolecular Chemistry
Permanent Link: http://hdl.handle.net/11104/0008732 - 10.0093248 - ÚOCHB 2008 RIV CZ eng C - Conference Paper (international conference)
Benda, Ladislav
Calculation of the Effective Chemical Shielding Anisotropy in L-Alanyl-L-Alanine, Conformational and Charge Dependence Study.
[Výpočty efektivní anizotropie chemického stínění pro L-Alanyl-L-Alanin, závislost na konformaci a náboji.]
16th Annual Conference of Doctoral Students WDS'07. Praha: MATFYZPRESS, 2007 - (Šafránková, J.; Pavlů, J.), s. 84-89. ISBN 978-80-7378-025-8.
[Annual Conference of Doctoral Students - WDS 2007 /16./. Prague (CZ), 05.06.2007-08.06.2007]
Institutional research plan: CEZ:AV0Z40550506
Keywords : alanyl-L-alanine * effective chemical shielding anisotropy * NMR
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0153338