2010

Horníček J., Dvořáková H., Bouř P.:
Intramolecular Proton Transfer in Calixphyrin Derivatives.
Journal of Physical Chemistry A 114 10: 3649-3654, 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.