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Petr Jurecka

Showing results (1-10 of 19) with videos related to

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Journal of the American Chemical Society|December 11, 2003
True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experimentPetr Jurecka, Pavel Hobza
The Journal of Chemical Physics|June 11, 2005
On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit levelIwona Dabkowska, Petr Jurecka, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|February 3, 2007
Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levelsKristýna Pluhácková, Petr Jurecka, Pavel Hobza
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 11, 2005
On differences between hydrogen bonding and improper blue-shifting hydrogen bondingWiktor Zierkiewicz, Petr Jurecka, Pavel Hobza
Journal of the American Chemical Society|August 12, 2004
Accurate interaction energies of hydrogen-bonded nucleic acid base pairsJirí Sponer, Petr Jurecka, Pavel Hobza
The Journal of Physical Chemistry. A|January 27, 2007
Resolution of identity density functional theory augmented with an empirical dispersion term (RI-DFT-D): a promising tool for studying isolated small peptidesJirí Cerný, Petr Jurecka, Pavel Hobza, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairsPetr Jurecka, Jirí Sponer, Jirí Cerný, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 15, 2010
On the reliability of the AMBER force field and its empirical dispersion contribution for the description of noncovalent complexesMichal Kolár, Karel Berka, Petr Jurecka, et al.
The Journal of Physical Chemistry. B|August 4, 2007
Model of peptide bond-aromatic ring interaction: correlated ab initio quantum chemical studyLada Bendová, Petr Jurecka, Pavel Hobza, et al.
Journal of Computational Chemistry|December 23, 2006
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculationsPetr Jurecka, Jirí Cerný, Pavel Hobza, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
Journal of the American Chemical Society|December 11, 2003
True stabilization energies for the optimal planar hydrogen-bonded and stacked structures of guanine...cytosine, adenine...thymine, and their 9- and 1-methyl derivatives: complete basis set calculations at the MP2 and CCSD(T) levels and comparison with experimentPetr Jurecka, Pavel Hobza
The Journal of Chemical Physics|June 11, 2005
On geometries of stacked and H-bonded nucleic acid base pairs determined at various DFT, MP2, and CCSD(T) levels up to the CCSD(T)/complete basis set limit levelIwona Dabkowska, Petr Jurecka, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|February 3, 2007
Stabilisation energy of C(6)H(6)...C(6)X(6) (X = F, Cl, Br, I, CN) complexes: complete basis set limit calculations at MP2 and CCSD(T) levelsKristýna Pluhácková, Petr Jurecka, Pavel Hobza
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 11, 2005
On differences between hydrogen bonding and improper blue-shifting hydrogen bondingWiktor Zierkiewicz, Petr Jurecka, Pavel Hobza
Journal of the American Chemical Society|August 12, 2004
Accurate interaction energies of hydrogen-bonded nucleic acid base pairsJirí Sponer, Petr Jurecka, Pavel Hobza
The Journal of Physical Chemistry. A|January 27, 2007
Resolution of identity density functional theory augmented with an empirical dispersion term (RI-DFT-D): a promising tool for studying isolated small peptidesJirí Cerný, Petr Jurecka, Pavel Hobza, et al.
Physical Chemistry Chemical Physics : PCCP|April 25, 2006
Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairsPetr Jurecka, Jirí Sponer, Jirí Cerný, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 15, 2010
On the reliability of the AMBER force field and its empirical dispersion contribution for the description of noncovalent complexesMichal Kolár, Karel Berka, Petr Jurecka, et al.
The Journal of Physical Chemistry. B|August 4, 2007
Model of peptide bond-aromatic ring interaction: correlated ab initio quantum chemical studyLada Bendová, Petr Jurecka, Pavel Hobza, et al.
Journal of Computational Chemistry|December 23, 2006
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculationsPetr Jurecka, Jirí Cerný, Pavel Hobza, et al.
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