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Journal of Chemical Theory and Computation
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September 28, 2021
Z-DNA as a Touchstone for Additive Empirical Force Fields and a Refinement of the Alpha/Gamma DNA Torsions for AMBER
Marie Zgarbová, Jiří Šponer, Petr Jurečka
Chemical Reviews
|
April 16, 2016
Noncovalent Interactions by Quantum Monte Carlo
Matúš Dubecký, Lubos Mitas, Petr Jurečka
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2014
Electric quadrupole moment of graphene and its effect on intermolecular interactions
Mikuláš Kocman, Martin Pykal, Petr Jurečka
The Journal of Physical Chemistry Letters
|
October 14, 2025
Why Nondynamic Correlation Matters for <i>ππ</i> Stacking? Lessons from the Benzene Dimer
Roman Fanta, Petr Jurečka, Matúš Dubecký
Journal of Chemical Theory and Computation
|
January 3, 2025
Refinement of the Sugar Puckering Torsion Potential in the AMBER DNA Force Field
Marie Zgarbová, Jiří Šponer, Petr Jurečka
Physical Chemistry Chemical Physics : PCCP
|
July 4, 2015
Extensions and applications of the A24 data set of accurate interaction energies
Jan Řezáč, Matúš Dubecký, Petr Jurečka, et al.
The Journal of Organic Chemistry
|
July 9, 2025
Application of <sup><b>19</b></sup>F NMR Spectroscopy for Determining the Absolute Configuration of α-Chiral Amines and Secondary Alcohols Using Trifluoromethylbenzoimidazolylbenzoic Acid
David Profous, Michal Kriegelstein, Petr Jurečka, et al.
Journal of Chemical Theory and Computation
|
December 6, 2017
A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker
Marie Zgarbová, Petr Jurečka, Jiří Šponer, et al.
Journal of Chemical Theory and Computation
|
November 9, 2023
Dynamic and Nondynamic Electron Correlation Energy Decomposition Based on the Node of the Hartree-Fock Slater Determinant
Martin Šulka, Katarína Šulková, Petr Jurečka, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2015
Modelling of graphene functionalization
Martin Pykal, Petr Jurečka, František Karlický, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 57) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
September 28, 2021
Z-DNA as a Touchstone for Additive Empirical Force Fields and a Refinement of the Alpha/Gamma DNA Torsions for AMBER
Marie Zgarbová, Jiří Šponer, Petr Jurečka
Chemical Reviews
|
April 16, 2016
Noncovalent Interactions by Quantum Monte Carlo
Matúš Dubecký, Lubos Mitas, Petr Jurečka
Physical Chemistry Chemical Physics : PCCP
|
January 11, 2014
Electric quadrupole moment of graphene and its effect on intermolecular interactions
Mikuláš Kocman, Martin Pykal, Petr Jurečka
The Journal of Physical Chemistry Letters
|
October 14, 2025
Why Nondynamic Correlation Matters for <i>ππ</i> Stacking? Lessons from the Benzene Dimer
Roman Fanta, Petr Jurečka, Matúš Dubecký
Journal of Chemical Theory and Computation
|
January 3, 2025
Refinement of the Sugar Puckering Torsion Potential in the AMBER DNA Force Field
Marie Zgarbová, Jiří Šponer, Petr Jurečka
Physical Chemistry Chemical Physics : PCCP
|
July 4, 2015
Extensions and applications of the A24 data set of accurate interaction energies
Jan Řezáč, Matúš Dubecký, Petr Jurečka, et al.
The Journal of Organic Chemistry
|
July 9, 2025
Application of <sup><b>19</b></sup>F NMR Spectroscopy for Determining the Absolute Configuration of α-Chiral Amines and Secondary Alcohols Using Trifluoromethylbenzoimidazolylbenzoic Acid
David Profous, Michal Kriegelstein, Petr Jurečka, et al.
Journal of Chemical Theory and Computation
|
December 6, 2017
A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker
Marie Zgarbová, Petr Jurečka, Jiří Šponer, et al.
Journal of Chemical Theory and Computation
|
November 9, 2023
Dynamic and Nondynamic Electron Correlation Energy Decomposition Based on the Node of the Hartree-Fock Slater Determinant
Martin Šulka, Katarína Šulková, Petr Jurečka, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2015
Modelling of graphene functionalization
Martin Pykal, Petr Jurečka, František Karlický, et al.
Page
of 6