2011
Yamamoto S., Bouř P.:
On the Limited Precision of Transfer Of Molecular Optical Activity Tensor.
Collection of Czechoslovak Chemical Communications 76 5: 567-583, 2011.
Hopmann K.H., Ruud K., Pecul M., Kudelski A., Dračínský M., Bouř P.:
Explicit versus Implicit Solvent Modeling of Raman Optical Activity Spectra.
Journal of Physical Chemistry B 115 14: 4128-4137, 2011.
Šebestík J., Bouř P.:
Raman Optical Activity of Methyloxirane Gas and Liquid.
Journal of Physical Chemistry Letters 2 5: 498-502, 2011.
Kaminský J., Kubelka J., Bouř P.:
Theoretical Modeling of Peptide alpha-Helical Dichroism in Aqueous Solution.
Journal of Physical Chemistry A 115 9: 1734-1742, 2011.
Kaminský J., Bouř P., Kubelka J.:
Simulations of the Temperature Dependence of Amide I Vibration.
Journal of Physical Chemistry A 115 1: 30-34, 2011.
Sorokin V.A., Valeev V.A., Usenko E.L., Andrushchenko V.:
Divalent metal ion effect on helix-coil transition of high molecular weight DNA in neutral and alkaline solutions.
International Journal of Biological Macromolecules 48 2: 369-374, 2011.
Kupka T., Stachow M., Nieradka M., Kaminský J., Pluta T., Sauer S.P.A.:
From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shielding via affordable DFT/CBS calculations.
Magnetic Resonance in Chemistry 49 5: 231-236, 2011.
Csonka G.I., Kaminský J.:
Accurate Conformational Energy Differences of Carbohydrates: A Complete Basis Set Extrapolation.
Journal of Chemical Theory and Computation 7 4: 988-997, 2011.
Benda L., Straka M., Tanaka Y., Sychrovský V.:
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.
Physical Chemistry Chemical Physics 13 1: 100-103, 2011.
Benda L., Schneider B., Sychrovský V.:
Calculating the Response of NMR Shielding Tensor sigma(P-31) and (2)J(P-31,C-13) Coupling Constants in Nucleic Acid Phosphate to Coordination of the Mg2+ Cation.
Journal of Physical Chemistry A 115 11: 2385-2395, 2011.
Šebestík J., Niederhafner P., Ježek J.:
Peptide and glycopeptide dendrimers and analogous dendrimeric structure and their biomedical applications.
Amino Acids 40 2: 301-370, 2011.