2014
Kolář M. H., Carloni P., Hobza P.:
Statistical analysis of σ-holes: A novel complementary view on halogen bonding .
Physical Chemistry Chemical Physics 16: 19111-19114, 2014.
Demovičová L., Hobza P., Řezáč J.:
Evaluation of composite schemes for CCSDT(Q) calculations of interaction energies of noncovalent complexes .
Physical Chemistry Chemical Physics 16: 19115-19121, 2014.
Řezáč J., Hobza P.:
Ab initio quantum mechanical description of noncovalent interactions at its limits: Approaching the experimental dissociation energy of the HF dimer .
Journal of Chemical Theory and Computation 10: 3066-3073, 2014.
Zgarbová M., Otyepka M., Šponer J., Lankaš F., Jurečka P.:
Base pair fraying in molecular dynamics simulations of DNA and RNA .
Journal of Chemical Theory and Computation 10: 3177-3189, 2014.
Fanfrlík J., Přáda A., Padělková Z., Pecina A., Macháček J., Lepšík M., Holub J., Růžička A., Hnyk D., Hobza P.:
The dominant role of chalcogen bonding in the crystal packing of 2D/3D aromatics .
Angewandte Chemie - International Edition in press, 2014.
Kielkowski P., Fanfrlík J., Hocek M.:
7-aryl-7-deazaadenine 2′-deoxyribonucleoside triphosphates (dNTPs): Better substrates for DNA polymerases than dATP in competitive incorporations .
Angewandte Chemie - International Edition 53: 7552-7555, 2014.
Kolář M., Hostaš J., Hobza P.:
The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole .
Physical Chemistry Chemical Physics 16: 9987-9996, 2014.
Sedlák R., Deepa P., Hobza P.:
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Journal of Physical Chemistry A 118: 3846-3855, 2014.
Deepa P., Sedlák R., Hobza P.:
On the origin of the substantial stabilisation of the electron-donor 13-dithiole-2-thione-4-carboxyclic acid⋯I2 and DABCO⋯I2 complexes .
Physical Chemistry Chemical Physics 16: 6679-6686, 2014.
Klemsa J., Řezáč J.:
Erratum: "Parallel low-memory quasi-Newton optimization algorithm for molecular structure" (Chemical Physics Letters (2013) 584 (10-13)) .
Chemical Physics Letters 597: 159, 2014.
Řezáč J., Riley K.E., Hobza P.:
Erratum: S66: A well-balanced database of benchmark interaction energies relevant to biomolecular structures (Journal of Chemical Theory and Computation (2011) 7:8 (2427-2438) 10.1021/ct2002946) .
Journal of Chemical Theory and Computation 10: 1359-1360, 2014.
Špirko V.:
Highly sensitive ammonia probes of a variable proton-to-electron mass ratio .
Journal of Physical Chemistry Letters 5: 919-923, 2014.
Augustovičová L., Soldán P., Kraemer W.P., Špirko V.:
Potential microwave probes of the proton-to-electron mass ratio at very high redshifts .
Monthly Notices of the Royal Astronomical Society 439: 1136-1139, 2014.
Deepa P., Vijaya Pandiyan B., Kolandaivel P., Hobza P.:
Halogen bonds in crystal TTF derivatives: An ab initio quantum mechanical study .
Physical Chemistry Chemical Physics 16: 2038-2047, 2014.
Jaklová Dytrtová J., Fanfrlík J., Norková R., Jakl M., Hobza P.:
Theoretical insight into the stabilization of triazole fungicides via their interactions with dications .
International Journal of Mass Spectrometry 359: 38-43, 2014.
Berkes B.B., Huang M., Henry J.B., Kokoschka M., Bandarenka A.S.:
Characterisation of complex electrode processes using simultaneous impedance spectroscopy and electrochemical nanogravimetric measurements .
ChemPlusChem 79: 348-358, 2014.
Kožíšek M., Lepšík M., Grantz Šašková K., Brynda J., Konvalinka J., Řezáčová P.:
Thermodynamic and structural analysis of HIV protease resistance to darunavir - Analysis of heavily mutated patient-derived HIV-1 proteases .
FEBS Journal 281: 1834-1847, 2014.
Dršata T., Špačková N., Jurečka P., Zgarbová M., Šponer J., Lankaš F.:
Mechanical properties of symmetric and asymmetric DNA A-tracts: Implications for looping and nucleosome positioning .
Nucleic Acids Research 42: 7383-7394, 2014.