2010
Horníček J., Dvořáková H., Bouř P.:
Intramolecular Proton Transfer in Calixphyrin Derivatives.
Journal of Physical Chemistry A 114 10: 3649-3654, 2010.
Wang C., Straka M., Pyykko P.:
Formulations of the closed-shell interactions in endohedral systems.
Physical Chemistry Chemical Physics 12 23: 6187-6203, 2010.
Niederhafner P., Bednárová L., Buděšínský M., Šafařík M., Ehala S., Ježek J., Borovičková L., Fučík V., Čeřovský V., Slaninová J.:
Melectin MAPs: the influence of dendrimerization on antimicrobial and hemolytic activity.
Amino Acids 39 5: 1553-1561, 2010.
Maloň P., Bednárová L., Straka M., Krejčí L., Kuprecht L., Kraus T., Kubáňová M., Baumruk V.:
Disulfide Chromophore and Its Optical Activity.
Chirality 22 1E Sp.Iss. SI: E47-E55, 2010.
Andrushchenko V., Bouř P.:
Applications of the Cartesian Coordinate Tensor Transfer Technique in the Simulations of Vibrational Circular Dichroism Spectra of Oligonucleotides.
Chirality 22 1E Sp.Iss. SI: E96-E114, 2010.
Vokáčová Z., Trantírek L., Sychrovský V.:
Evaluating the Effects of the Nonplanarity of Nucleic Acid Bases on NMR, IR, and Vibrational Circular Dichroism Spectra: A Density Functional Theory Computational Study.
Journal of Physical Chemistry A 114 37: 10202-10208, 2010.
Gauger D.R., Andrushchenko V., Bouř P., Pohle W.:
A spectroscopic method to estimate the binding potency of amphiphile assemblies.
Analytical and Bioanalytical Chemistry 398 5: 2335-2335, 2010.
Šebestík J., Šafrík M., Zawada Z., Hlaváček J.:
Convergent syntheses of HuPrP106-126 (difficult sequence) using native chemical ligation and desulfurization/deselenization.
Journal of Peptide Science 16 Suppl. 1: 86-86, 2010.
Zawada Z., Šebestík J., Šafarík M., Krejčiříková A., Hlaváček J., Stibor I., Holada K., , Bouř P.:
What could be the role of quinacrine in Creutzfeldt-Jakob disease treatment?.
Journal of Peptide Science 16 Suppl.1: 55-55, 2010.
Kumprecht L., Buděšínský M., Bouř P., Kraus T.:
alpha-Cyclodextrins reversibly capped with disulfide bonds.
New Journal of Chemistry 34 10: 2254-2260, 2010.
Gauger D.R., Andrushchenko V., Bouř P., Pohle W.:
A spectroscopic method to estimate the binding potency of amphiphile assemblies.
Analytical and Bioanalytical Chemistry 398 2: 1109-1123, 2010.
Profant V., Šafarík M., Bouř P., Baumruk V.:
Raman optical activity study of poly-L-proline chains of various lengths.
Spectroscopy - An International Journal 24 3-4: 213-217, 2010.
Yamamoto S., Straka M., Watari H., Bouř P.:
Formation and structure of the potassium complex of valinomycin in solution studied by Raman optical activity spectroscopy.
Physical Chemistry Chemical Physics 12 36: 11021-11032, 2010.
Yamamoto S., Straka M., Watari H., Bouř P.:
Structural Analysis of Valinomycin in Solution Studied by Raman Optical Activity.
XXII International Conference on Raman Spectroscopy, AIP Conference Proceedings, 1267 843-844, 2010.
Parchaňský V., Bouř P.:
Transferability of anharmonic force fields in simulations of molecular vibrations.
Journal of Chemical Physics 133 4: 0044117, 2010.
Hudecová J., Kapitán J., Baumruk V., Hammer R.P., Keiderling T.A., Bouř P.:
Side Chain and Flexibility Contributions to the Raman Optical Activity Spectra of a Model Cyclic Hexapeptide.
Journal of Physical Chemistry A 114 28: 7642-7651, 2010.
Kaminský K., Raich I, Tomčáková K., Bouř P.:
Conformational Behavior of Simple Furanosides Studied by Optical Rotation.
Journal of Computational Chemistry 31 11: 2213-2224, 2010.
Ivani I., Baumruk V., Bouř P.:
A Fourier Transform Method for Generation of Anharmonic Vibrational Molecular Spectra.
Journal of Chemical Theory and Computation 6 7: 2095-2102, 2010.
Kapitán J., Johannessen C., Bouř P., Hecht L., Barron L.D.:
Vibrational Raman Optical Activity of 1-Phenylethanol and 1-Phenylethylamine: Revisiting Old Friends.
Chirality 21 1E: E4-E12, 2010.
Roy A., Bouř P., Keiderling T.A.:
TD-DFT Modeling of the Circular Dichroism for a Tryptophan Zipper Peptide with Coupled Aromatic Residues.
Chirality 21 1E: E163-E171, 2010.
Štepánek P., Bouř P., Straka M.:
Assignment of the He@C-84 isomers in experimental NMR spectra using density functional calculations.
Chemical Physics Letters 500 1-3: 54-58, 2010.
Paulson L.O., Kaminský J., Anderson D.T., Bouř P., Kubelka J.:
Theoretical Study of Vibrationally Averaged Dipole Moments for the Ground and Excited C=O Stretching States of trans-Formic Acid.
Journal of Chemical Theory and Computation 6 3: 817-827, 2010.
Bednárová L., Bouř P., Maloň P.:
Vibrational and Electronic Optical Activity of the Chiral Disulphide Group: Implications for Disulphide Bridge Conformation.
Chirality 22 5: 514-526, 2010.
Dračínský M., Bouř P.:
Computational Analysis of Solvent Effects in NMR Spectroscopy.
Journal of Chemical Theory and Computation 6 1: 288-299, 2010.
Dračínský M., Castano O., Kotora M., Bouř P.:
Rearrangement of Dewar Benzene Derivatives Studied by DFT.
Journal of Organic Chemistry 75 3: 576-581, 2010.
Kupka T., Stachow M., Nieradka M., Kaminský J., Pluta T.:
Convergence of Nuclear Magnetic Shieldings in the Kohn-Sham Limit for Several Small Molecules.
Journal of Chemical Theory and Computation 6 5: 1580-1589, 2010.
Kapitán J., Dračínský M., Kaminský J., Benda L., Bouř P.:
Theoretical Modeling of Magnesium Ion Imprints in the Raman Scattering of Water.
Journal of Physical Chemistry B 114 10: 3574-3582, 2010.
Kratochvílová I., Todorciuc T., Král K., Němec H., Buncek M., Šebera J., Záliš S., Vokáčová Z., Sychrovský V., Bednárová L., Mojzeš P., Schneider B.:
Charge Transport in DNA Oligonucleotides with Various Base-Pairing Patterns.
Journal of Physical Chemistry B 114 15: 5196-5205, 2010.
Standara S., Malinaková K., Marek R., Marek J., Hocek M., Vaara J., Straka M.:
Understanding the NMR chemical shifts for 6-halopurines: role of structure, solvent and relativistic effects.
Physical Chemistry Chemical Physics 12 19: 5126-5139, 2010.