Search results
- 1.0494037 - FZÚ 2019 RIV GB eng J - Journal Article
Dairaku, T. - Furuita, K. - Sato, H. - Šebera, Jakub - Yamanaka, D. - Otaki, H. - Kikkawa, S. - Kondo, Y. - Katahira, R. - Bickelhaupt, F. M. - Guerra, C. F. - Ono, A. - Sychrovský, V. - Kojima, C. - Tanaka, Y.
Direct detection of the mercury-nitrogen bond in the thymine-Hg-II-thymine base-pair with Hg-199 NMR spectroscopy.
Chemical Communications. Roč. 51, č. 40 (2015), s. 8488-8491. ISSN 1359-7345. E-ISSN 1364-548X
Institutional support: RVO:68378271
Keywords : Nuclear Magnetic Resonance * relativistic DFT * metal DNA
OECD category: Biophysics
Impact factor: 6.567, year: 2015
Permanent Link: http://hdl.handle.net/11104/0287281 - 2.0444868 - ÚOCHB 2016 RIV GB eng J - Journal Article
Dairaku, T. - Furuita, K. - Sato, H. - Šebera, Jakub - Yamanaka, D. - Otaki, H. - Kikkawa, S. - Kondo, Y. - Katahira, R. - Bickelhaupt, F. M. - Guerra, C. F. - Ono, A. - Sychrovský, Vladimír - Kojima, C. - Tanaka, Y.
Direct detection of the mercury-nitrogen bond in the thymine-Hg-II-thymine base-pair with Hg-199 NMR spectroscopy.
Chemical Communications. Roč. 51, č. 40 (2015), s. 8488-8491. ISSN 1359-7345. E-ISSN 1364-548X
R&D Projects: GA ČR GAP205/10/0228
Institutional support: RVO:61388963
Keywords : T-Hg-T * NMR * spin-spin coupling * DFT
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 6.567, year: 2015
http://pubs.rsc.org/en/content/articlepdf/2015/cc/c5cc02423d
Permanent Link: http://hdl.handle.net/11104/0247339 - 3.0382707 - ÚOCHB 2013 RIV DE eng J - Journal Article
Fonville, J. M. - Swart, M. - Vokáčová, Zuzana - Sychrovský, Vladimír - Šponer, Judit E. - Šponer, Jiří - Hilbers, C. W. - Bickelhaupt, F. M. - Wijmenga, S. S.
Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment.
Chemistry - A European Journal. Roč. 18, č. 39 (2012), s. 12372-12387. ISSN 0947-6539. E-ISSN 1521-3765
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50040702; CEZ:AV0Z50040507
Keywords : density functional calculations * NMR spectroscopy * nucleic acids * structure elucidation
Subject RIV: CF - Physical ; Theoretical Chemistry; BO - Biophysics (BFU-R)
Impact factor: 5.831, year: 2012
Permanent Link: http://hdl.handle.net/11104/0212851 - 4.0329620 - ÚOCHB 2010 RIV US eng J - Journal Article
Vokáčová, Zuzana - Bickelhaupt, F. M. - Šponer, Jiří - Sychrovský, Vladimír
Structural Interpretation of J Coupling Constants in Guanosine and Deoxyguanosine: Modeling the Effects of Sugar Pucker, Backbone Conformation, and Base Paging.
Journal of Physical Chemistry A. Roč. 113, č. 29 (2009), s. 8379-8386. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA400550701
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z50040702
Keywords : guanosin * DFT * J-coupling
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005458