| Pseudo‐Contact NMR Shifts over the Paramagnetic Metalloprotein CoMMP‐12 from First Principles L Benda, J Mareš, E Ravera, G Parigi, C Luchinat, M Kaupp, J Vaara Angewandte Chemie 128 (47), 14933-14937, 2016 | 74 | 2016 |
| Raman spectroscopic detection of the T-Hg II -T base pair and the ionic characteristics of mercury T Uchiyama, T Miura, H Takeuchi, T Dairaku, T Komuro, T Kawamura, ... Nucleic acids research 40 (12), 5766-5774, 2012 | 58 | 2012 |
| Picometer resolution structure of the coordination sphere in the metal-binding site in a metalloprotein by NMR A Bertarello, L Benda, KJ Sanders, AJ Pell, MJ Knight, V Pelmenschikov, ... Journal of the American Chemical Society 142 (39), 16757-16765, 2020 | 39 | 2020 |
| Ab initio modeling of fused silica, crystal quartz, and water Raman spectra M Dračínský, L Benda, P Bouř Chemical Physics Letters 512 (1-3), 54-59, 2011 | 38 | 2011 |
| On the role of mercury in the non-covalent stabilisation of consecutive U–Hg II–U metal-mediated nucleic acid base pairs: metallophilic attraction enters the world of nucleic acids L Benda, M Straka, Y Tanaka, V Sychrovský Physical Chemistry Chemical Physics 13 (1), 100-103, 2011 | 35 | 2011 |
| Theoretical modeling of magnesium ion imprints in the Raman scattering of water J Kapitán, M Dracinsky, J Kaminsky, L Benda, P Bour The Journal of Physical Chemistry B 114 (10), 3574-3582, 2010 | 33 | 2010 |
| Vibrational properties of the phosphate group investigated by molecular dynamics and density functional theory V Andrushchenko, L Benda, O Pav, M Dracinsky, P Bour The Journal of Physical Chemistry B 119 (33), 10682-10692, 2015 | 28 | 2015 |
| Correlating the 31P NMR Chemical Shielding Tensor and the 2JP,C Spin–Spin Coupling Constants with Torsion Angles ζ and α in the Backbone of Nucleic Acids L Benda, Z Sochorová Vokáčová, M Straka, V Sychrovský The Journal of Physical Chemistry B 116 (12), 3823-3833, 2012 | 28 | 2012 |
| Pseudocontact shifts and paramagnetic susceptibility in semiempirical and quantum chemistry theories G Parigi, L Benda, E Ravera, M Romanelli, C Luchinat The Journal of Chemical Physics 150 (14), 2019 | 27 | 2019 |
| Calculating the Response of NMR Shielding Tensor σ(31P) and 2J(31P,13C) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+ Cation L Benda, B Schneider, V Sychrovsky The Journal of Physical Chemistry A 115 (11), 2385-2395, 2011 | 27 | 2011 |
| Detection of mercury–TpT dinucleotide binding by Raman spectra: A computational study L Benda, M Straka, V Sychrovsky, P Bour, Y Tanaka The Journal of Physical Chemistry A 116 (32), 8313-8320, 2012 | 26 | 2012 |
| Dependence of the l-Alanyl-l-Alanine Conformation on Molecular Charge Determined from Ab Initio Computations and NMR Spectra V Sychrovský, M Buděšínský, L Benda, V Špirko, Z Vokacova, J Šebestík, ... The Journal of Physical Chemistry B 112 (6), 1796-1805, 2008 | 26 | 2008 |
| Capturing a dynamically interacting inhibitor by paramagnetic NMR spectroscopy P Srb, M Svoboda, L Benda, M Lepšík, J Tarábek, V Šícha, B Grüner, ... Physical Chemistry Chemical Physics 21 (10), 5661-5673, 2019 | 22 | 2019 |
| Paramagnetic Cobalt(II) Complexes with Cyclam Derivatives: Toward 19F MRI Contrast Agents J Blahut, L Benda, J Kotek, G Pintacuda, P Hermann Inorganic Chemistry 59 (14), 10071-10082, 2020 | 21 | 2020 |
| Straightforward Access to Stable, 16-Valence-Electron Phosphine-Stabilized Fe0 Olefin Complexes and Their Reactivity B Burcher, KJ Sanders, L Benda, G Pintacuda, E Jeanneau, ... Organometallics 36 (3), 605-613, 2017 | 18 | 2017 |
| Determination of size of molecular clusters of ethanol by means of NMR diffusometry and hydrodynamic calculations M Soltesova, L Benda, M Peksa, J Czernek, J Lang The Journal of Physical Chemistry B 118 (24), 6864-6874, 2014 | 13 | 2014 |
| Probing the Flexibility of Internal Rotation in Silylated Phenols with the NMR Scalar Spin− Spin Coupling Constants L Benda, A Prokop, V Blechta, J Schraml, V Špirko The Journal of Physical Chemistry A 112 (23), 5167-5174, 2008 | 12 | 2008 |
| Development of a Borane–(Meth) acrylate Photo‐Click Reaction B Aubry, R Canterel, M Lansalot, E Bourgeat‐Lami, A Airoudj, B Graff, ... Angewandte Chemie International Edition 60 (31), 17037-17044, 2021 | 7 | 2021 |
| 8.27 Spectroscopic Analysis: Ab initio Calculation of Chiroptical Spectra L Benda, P Štěpánek, J Kaminský, P Bouř Comprehensive Chirality, 520-544, 2012 | 7 | 2012 |
| 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 L Benda, P Bour, N Müller, V Sychrovský The Journal of Physical Chemistry B 113 (15), 5273-5281, 2009 | 7 | 2009 |
Kevin J. SandersResearch Associate, McMaster UniversityVerified email at mcmaster.ca
