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Physical Chemistry Chemical Physics : PCCP
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October 1, 2009
The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking
Jirí Cerný, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2007
Non-covalent interactions in biomacromolecules
Jirí Cerný, Pavel Hobza
Chemical Communications (Cambridge, England)
|
January 13, 2010
Energy barriers between H-bonded and stacked structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine complexes
Jirí Cerný, Pavel Hobza
Frontiers in Veterinary Science
|
November 28, 2022
<i>Coxiella burnetii</i> in ticks, livestock, pets and wildlife: A mini-review
Seyma S Celina, Jirí Cerný
The Journal of Physical Chemistry. B
|
May 16, 2009
Loss of dispersion energy changes the stability and folding/unfolding equilibrium of the Trp-cage protein
Jirí Cerný, Jirí Vondrásek, Pavel Hobza
Journal of the American Chemical Society
|
November 4, 2008
Double-helical --> ladder structural transition in the B-DNA is induced by a loss of dispersion energy
Jirí Cerný, Martin Kabelác, Pavel Hobza
The Journal of Physical Chemistry. A
|
June 7, 2008
Effect of noncovalent interactions on the n-butylbenzene...Ar cluster studied by mass analyzed threshold ionization spectroscopy and ab initio computations
Xin Tong, Jirí Cerný, Klaus Müller-Dethlefs
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 peptides
Jirí 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 pairs
Petr Jurecka, Jirí Sponer, Jirí Cerný, et al.
The Journal of Chemical Physics
|
March 26, 2008
State of the art theoretical study and comparison to experiment for the phenol...argon complex
Jirí Cerný, Xin Tong, Pavel Hobza, et al.
Page
of 3
Search research articles
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Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Physical Chemistry Chemical Physics : PCCP
|
October 1, 2009
The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking
Jirí Cerný, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP
|
October 5, 2007
Non-covalent interactions in biomacromolecules
Jirí Cerný, Pavel Hobza
Chemical Communications (Cambridge, England)
|
January 13, 2010
Energy barriers between H-bonded and stacked structures of 9-methyladenine...1-methylthymine and 9-methylguanine...1-methylcytosine complexes
Jirí Cerný, Pavel Hobza
Frontiers in Veterinary Science
|
November 28, 2022
<i>Coxiella burnetii</i> in ticks, livestock, pets and wildlife: A mini-review
Seyma S Celina, Jirí Cerný
The Journal of Physical Chemistry. B
|
May 16, 2009
Loss of dispersion energy changes the stability and folding/unfolding equilibrium of the Trp-cage protein
Jirí Cerný, Jirí Vondrásek, Pavel Hobza
Journal of the American Chemical Society
|
November 4, 2008
Double-helical --> ladder structural transition in the B-DNA is induced by a loss of dispersion energy
Jirí Cerný, Martin Kabelác, Pavel Hobza
The Journal of Physical Chemistry. A
|
June 7, 2008
Effect of noncovalent interactions on the n-butylbenzene...Ar cluster studied by mass analyzed threshold ionization spectroscopy and ab initio computations
Xin Tong, Jirí Cerný, Klaus Müller-Dethlefs
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 peptides
Jirí 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 pairs
Petr Jurecka, Jirí Sponer, Jirí Cerný, et al.
The Journal of Chemical Physics
|
March 26, 2008
State of the art theoretical study and comparison to experiment for the phenol...argon complex
Jirí Cerný, Xin Tong, Pavel Hobza, et al.
Page
of 3