2012
Kočišová E., Vodáková A., Procházka M.:
DCDR Spectroscopy as Efficient Tool for Liposome Studies: Aspect of Preparation Procedure Parameters.
Spectroscopy-an International Journal 27 5-6: 349-353, 2012.
Kupka T., Nieradka M., Stachow M., Pluta T., Nowak P., Kjaer H., Kongsted J., Kaminský J.:
Basis Set Convergence of Indirect Spin-Spin Coupling Constants in the Kohn-Sham Limit for Several Small Molecules.
Journal of Physical Chemistry A 116 14: 3728-3738, 2012.
Yamamoto S., Kaminský J., Bouř P.:
Structure and Vibrational Motion of Insulin from Raman Optical Activity Spectra.
Analytical Chemistry 84 5: 2440-2451, 2012.
Benda L., Straka M., Sychrovský V., Bouř P., Tanaka Y.:
Detection of Mercury-TpT Dinucleotide Binding by Raman Spectra: A Computational Study.
Journal of Physical Chemistry A 116 32: 8313-8320, 2012.
Uchiyama T., Miura T., Takeuchi H., Dairaku T., Komuro T., Kawamura T., Kondo Y., Benda L., Sychrovský V., Bouř P., Okamoto I., Ono A., Tanaka Y.:
Raman spectroscopic detection of the T-Hg-II-T base pair and the ionic characteristics of mercury.
Nucleic Acids Research 40 12: 5766-5774, 2012.
Benda L., Vokáčová Z. S., Straka M., Sychrovský V.:
Correlating the P-31 NMR Chemical Shielding Tensor and the (2)J(P,C) Spin-Spin Coupling Constants with Torsion Angles zeta and alpha in the Backbone of Nucleic Acids.
Journal of Physical Chemistry B 116 12: 3823-3833, 2012.
Šebestík J., Zawada Z., Šafařík M., Hlaváček J.:
Comparative syntheses of peptides and peptide thioesters derived from mouse and human prion proteins.
Amino Acids 43 3: 1297-1309, 2012.
Hudecová J., Horníček J., Buděšínský M., Šebestík J., Šafařík M., Zhang G., Keiderling T. A., Bouř P.:
Three Types of Induced Tryptophan Optical Activity Compared in Model Dipeptides: Theory and Experiment.
Chemphyschem 13 11: 2748-2760, 2012.
Novák V., Šebestík J., Bouř P.:
Theoretical Modeling of the Surface-Enhanced Raman Optical Activity.
Journal of Chemical Theory and Computation 8 5: 1714-1720, 2012.
Šebestík J., Šafařík M., Bouř P.:
Ferric Complexes of 3-Hydroxy-4-pyridinones Characterized by Density Functional Theory and Raman and UV-vis Spectroscopies.
Inorganic Chemistry 51 8: 4473-4481, 2012.
Hopmann K. H., Šebestík J., Novotná J., Stensen W., Urbanová M., Svenson J., Svendsen J. S., Bouř P., Ruud K.:
Determining the Absolute Configuration of Two Marine Compounds Using Vibrational Chiroptical Spectroscopy.
Journal of Organic Chemistry 77 2: 858-869, 2012.
Lantto P., Standara S., Riedel S., Vaara J., Straka M.:
Exploring new Xe-129 chemical shift ranges in HXeY compounds: hydrogen more relativistic than xenon.
Physical Chemistry Chemical Physics 14 31: 10944-10952, 2012.
Sychrovský V., Vokáčová Z. S., Trantírek L.:
Guanine Bases in DNA G-Quadruplex Adopt Nonplanar Geometries Owing to Solvation and Base Pairing.
Journal of Physical Chemistry A 116 16: 4144-4151, 2012.
Kessler J., Jakubek M., Dolenský B., Bouř P.:
Binding energies of five molecular pincers calculated by explicit and implicit solvent models.
Journal of Computational Chemistry 33 29: 2310-2317, 2012.
Wu T., Zhang X. P., Li C. H., Bouř P., Li Y. Z., You X. Z.:
Vibrational and electronic circular dichroism monitoring of copper(II) coordination with a chiral ligand.
Chirality 24 6: 451-458, 2012.
Dračinský M., Bouř P.:
Vibrational averaging of the chemical shift in crystalline a-glycine.
Journal of Computational Chemistry 33 10: 1080-1089, 2012.
Li X. J., Hopmann K. H., Hudecová J., Stensen W., Novotná J., Urbanová M., Svendsen J. S., Bouř P., Ruud K.:
Absolute Configuration of a Cyclic Dipeptide Reflected in Vibrational Optical Activity: Ab Initio and Experimental Investigation.
Journal of Physical Chemistry A 116 10: 2554-2563, 2012.
Yamamoto S., Li X. J., Ruud K., Bouř P.:
Transferability of Various Molecular Property Tensors in Vibrational Spectroscopy.
Journal of Chemical Theory and Computation 8 3: 977-985, 2012.
Štěpánek P., Andrushchenko V., Ruud K., Bouř P.:
Porphyrin Protonation Studied by Magnetic Circular Dichroism.
Journal of Physical Chemistry A 116 1: 778-783, 2012.
Hudecová J., Hopmann K. H., Bouř P.:
Correction of Vibrational Broadening in Molecular Dynamics Clusters with the Normal Mode Optimization Method.
Journal of Physical Chemistry B 116 1: 336-342, 2012.
Yamamoto S., Bouř P.:
Detection of Molecular Chirality by Induced Resonance Raman Optical Activity in Europium Complexes.
Angewandte Chemie-international Edition 51 44: 11058-11061, 2012.
Wang B., Bouř P., Keiderling T. A.:
Rotationally resolved magnetic vibrational circular dichroism of the paramagnetic molecule NO.
Physical Chemistry Chemical Physics 14 27: 9586-9593, 2012.
Dračinský M., Jansa P., Bouř P.:
Computational and Experimental Evidence of Through-Space NMR Spectroscopic J Coupling of Hydrogen Atoms.
Chemistry-a European Journal 18 3: 981-986, 2012.
Sorokin V. A., Valeev V. A., Usenko E. L., Andrushchenko V. V.:
DNA conformational equilibrium in the presence of Zn2+ ions in neutral and alkaline solutions.
International Journal of Biological Macromolecules 50 3: 854-860, 2012.
Polyanichko, A. M.; Andrushchenko, V. V.; Bouř, P.; Wieser, H.: Vibrational Circular Dichroism Studies of Biological Macromolecules and their Complexes. In Circular Dichroism: Theory and Spectroscopy, Rodgers, D. S., Ed. Nova Science Publishers, Inc.: Hauppauge, NY, 2012; pp 67-126.