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Jakub Kaminsky
Jakub Kaminsky
Institute of Organic Chemistry and Biochemistry
Verified email at uochb.cas.cz
Title
Cited by
Cited by
Year
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
1062010
Force field modeling of amino acid conformational energies
J Kaminský, F Jensen
Journal of Chemical Theory and Computation 3 (5), 1774-1788, 2007
732007
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 Kjćr, J Kongsted, ...
The Journal of Physical Chemistry A 116 (14), 3728-3738, 2012
662012
Structure and vibrational motion of insulin from Raman optical activity spectra
S Yamamoto, J Kaminský, P Bouř
Analytical chemistry 84 (5), 2440-2451, 2012
652012
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
552009
Ramachandran plot for alanine dipeptide as determined from Raman optical activity
V Parchaňský, J Kapitán, J Kaminský, J Šebestík, P Bouř
The Journal of Physical Chemistry Letters 4 (16), 2763-2768, 2013
502013
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
502009
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), 094106, 2009
462009
Efficient modeling of NMR parameters in carbon nanosystems
T Kupka, M Stachów, E Chełmecka, K Pasterny, M Stobińska, L Stobinski, ...
Journal of Chemical Theory and Computation 9 (9), 4275-4286, 2013
372013
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
372011
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
332009
The accuracy of local MP2 methods for conformational energies
J Kaminsky, RA Mata, HJ Werner, F Jensen
Molecular Physics 106 (15), 1899-1906, 2008
332008
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
312011
Theoretical modeling of magnesium ion imprints in the Raman scattering of water
J Kapitán, M Dracinsky, J Kaminský, L Benda, P Bour
The Journal of Physical Chemistry B 114 (10), 3574-3582, 2010
312010
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
302013
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
272013
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
252004
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
242013
Accurate conformational energy differences of carbohydrates: A complete basis set extrapolation
GI Csonka, J Kaminsky
Journal of Chemical Theory and Computation 7 (4), 988-997, 2011
242011
Anharmonic vibrational frequency calculations for solvated molecules in the B3LYP Kohn–Sham basis set limit
MA Broda, A Buczek, T Kupka, J Kaminsky
Vibrational Spectroscopy 63, 432-439, 2012
202012
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Articles 1–20