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The Journal of Chemical Physics
|
October 15, 2013
Highly accurate potential energy surface for the He-H2 dimer
Brandon W Bakr, Daniel G A Smith, Konrad Patkowski
The Journal of Chemical Physics
|
May 3, 2018
First-order symmetry-adapted perturbation theory for multiplet splittings
Konrad Patkowski, Piotr S Żuchowski, Daniel G A Smith
Journal of Chemical Theory and Computation
|
April 25, 2025
Analytical Derivatives of Symmetry-Adapted Perturbation Theory Corrections for Interaction-Induced Properties
Bartosz Tyrcha, Tarun Gupta, Konrad Patkowski, et al.
The Journal of Chemical Physics
|
January 15, 2018
Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer
Bo Song, Jonathan M Waldrop, Xiaopo Wang, et al.
The Journal of Chemical Physics
|
October 2, 2007
Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data
Małgorzata Jeziorska, Wojciech Cencek, Konrad Patkowski, et al.
The Journal of Physical Chemistry. A
|
June 7, 2007
Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations
Konrad Patkowski, Wojciech Cencek, Małgorzata Jeziorska, et al.
The Journal of Physical Chemistry. A
|
February 23, 2021
Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts
Wiktoria Jedwabny, Edyta Dyguda-Kazimierowicz, Katarzyna Pernal, et al.
The Journal of Chemical Physics
|
March 12, 2025
Stereodynamics of cold HD and D2 collisions with He
Bikramaditya Mandal, Konrad Patkowski, Pablo G Jambrina, et al.
The Journal of Physical Chemistry Letters
|
May 21, 2016
Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory
Daniel G A Smith, Lori A Burns, Konrad Patkowski, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies
Daniel G A Smith, Piotr Jankowski, Michał Slawik, et al.
Page
of 5
Search research articles
Search
Showing results (31-40 of 46) with videos related to
Sort By:
Page
of 5
The Journal of Chemical Physics
|
October 15, 2013
Highly accurate potential energy surface for the He-H2 dimer
Brandon W Bakr, Daniel G A Smith, Konrad Patkowski
The Journal of Chemical Physics
|
May 3, 2018
First-order symmetry-adapted perturbation theory for multiplet splittings
Konrad Patkowski, Piotr S Żuchowski, Daniel G A Smith
Journal of Chemical Theory and Computation
|
April 25, 2025
Analytical Derivatives of Symmetry-Adapted Perturbation Theory Corrections for Interaction-Induced Properties
Bartosz Tyrcha, Tarun Gupta, Konrad Patkowski, et al.
The Journal of Chemical Physics
|
January 15, 2018
Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimer
Bo Song, Jonathan M Waldrop, Xiaopo Wang, et al.
The Journal of Chemical Physics
|
October 2, 2007
Pair potential for helium from symmetry-adapted perturbation theory calculations and from supermolecular data
Małgorzata Jeziorska, Wojciech Cencek, Konrad Patkowski, et al.
The Journal of Physical Chemistry. A
|
June 7, 2007
Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations
Konrad Patkowski, Wojciech Cencek, Małgorzata Jeziorska, et al.
The Journal of Physical Chemistry. A
|
February 23, 2021
Extension of an Atom-Atom Dispersion Function to Halogen Bonds and Its Use for Rational Design of Drugs and Biocatalysts
Wiktoria Jedwabny, Edyta Dyguda-Kazimierowicz, Katarzyna Pernal, et al.
The Journal of Chemical Physics
|
March 12, 2025
Stereodynamics of cold HD and D2 collisions with He
Bikramaditya Mandal, Konrad Patkowski, Pablo G Jambrina, et al.
The Journal of Physical Chemistry Letters
|
May 21, 2016
Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory
Daniel G A Smith, Lori A Burns, Konrad Patkowski, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Basis Set Convergence of the Post-CCSD(T) Contribution to Noncovalent Interaction Energies
Daniel G A Smith, Piotr Jankowski, Michał Slawik, et al.
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of 5