| Convergence of nuclear magnetic shieldings in the Kohn− Sham limit for several small molecules T Kupka, M Stachów, M Nieradka, J Kaminsky, T Pluta Journal of Chemical Theory and Computation 6 (5), 1580-1589, 2010 | 122 | 2010 |
| Basis set convergence of indirect spin–spin coupling constants in the Kohn–Sham limit for several small molecules T Kupka, M Nieradka, M Stachów, T Pluta, P Nowak, H Kjær, J Kongsted, ... The Journal of Physical Chemistry A 116 (14), 3728-3738, 2012 | 79 | 2012 |
| Structure and vibrational motion of insulin from Raman optical activity spectra S Yamamoto, J Kaminský, P Bouř Analytical chemistry 84 (5), 2440-2451, 2012 | 76 | 2012 |
| Force field modeling of amino acid conformational energies J Kaminský, F Jensen Journal of Chemical Theory and Computation 3 (5), 1774-1788, 2007 | 76 | 2007 |
| Ramachandran plot for alanine dipeptide as determined from Raman optical activity V Parchaňský, J Kapitán, J Kaminský, J Sebestik, P Bouř The Journal of Physical Chemistry Letters 4 (16), 2763-2768, 2013 | 63 | 2013 |
| Interpretation of Raman and Raman optical activity spectra of a flexible sugar derivative, the gluconic acid anion J Kaminský, J Kapitán, V Baumruk, L Bednárová, P Bour The Journal of Physical Chemistry A 113 (15), 3594-3601, 2009 | 62 | 2009 |
| Relative importance of first and second derivatives of nuclear magnetic resonance chemical shifts and spin-spin coupling constants for vibrational averaging M Dračínský, J Kaminský, P Bouř The Journal of chemical physics 130 (9), 2009 | 54 | 2009 |
| Structure of the Alanine Hydration Shell as Probed by NMR Chemical Shifts and Indirect Spin− Spin Coupling M Dracinsky, J Kaminský, P Bour The Journal of Physical Chemistry B 113 (44), 14698-14707, 2009 | 53 | 2009 |
| From CCSD (T)/aug‐cc‐pVTZ‐J to CCSD (T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations T Kupka, M Stachów, M Nieradka, J Kaminsky, T Pluta, SPA Sauer Magnetic Resonance in Chemistry 49 (5), 231-236, 2011 | 51 | 2011 |
| Efficient modeling of NMR parameters in carbon nanosystems T Kupka, M Stachów, E Chełmecka, K Pasterny, M Stobinska, L Stobinski, ... Journal of Chemical Theory and Computation 9 (9), 4275-4286, 2013 | 41 | 2013 |
| Fullerene C 70 characterization by 13C NMR and the importance of the solvent and dynamics in spectral simulations J Kaminský, M Buděšínský, S Taubert, P Bouř, M Straka Physical Chemistry Chemical Physics 15 (23), 9223-9230, 2013 | 37 | 2013 |
| Theoretical modeling of peptide α-helical circular dichroism in aqueous solution J Kaminský, J Kubelka, P Bour The Journal of Physical Chemistry A 115 (9), 1734-1742, 2011 | 36 | 2011 |
| The accuracy of local MP2 methods for conformational energies J Kaminsky, RA Mata, HJ Werner, F Jensen Molecular Physics 106 (15), 1899-1906, 2008 | 36 | 2008 |
| 3He NMR: from free gas to its encapsulation in fullerene T Kupka, M Stachów, L Stobiński, J Kaminský Magnetic Resonance in Chemistry 51 (8), 463-468, 2013 | 35 | 2013 |
| Solvent Dependence of the N-Methylacetamide Structure and Force Field V Andrushchenko, P Matejka, DT Anderson, J Kaminský, J Horníček, ... The Journal of Physical Chemistry A 113 (35), 9727-9736, 2009 | 35 | 2009 |
| 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 |
| Estimation of isotropic nuclear magnetic shieldings in the CCSD (T) and MP2 complete basis set limit using affordable correlation calculations T Kupka, M Stachów, J Kaminsky, SPA Sauer Magnetic Resonance in Chemistry 51 (8), 482-489, 2013 | 30 | 2013 |
| Simulation of Raman and Raman optical activity of saccharides in solution V Palivec, V Kopecký, P Jungwirth, P Bouř, J Kaminský, H Martinez-Seara Physical Chemistry Chemical Physics 22 (4), 1983-1993, 2020 | 29 | 2020 |
| Rovibrational and temperature effects in theoretical studies of NMR parameters R Faber, J Kaminsky, S Sauer | 29 | 2016 |
| Restricted Conformational Flexibility of Furanose Derivatives: Ab Initio Interpretation of Their Nuclear Spin− Spin Coupling Constants P Bouř, I Raich, J Kaminský, R Hrabal, J Čejka, V Sychrovský The Journal of Physical Chemistry A 108 (30), 6365-6372, 2004 | 29 | 2004 |
