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Journal of Chemical Theory and Computation
|
July 17, 2024
Four-Dimensional Scaling of Dipole Polarizability: From Single-Particle Models to Atoms and Molecules
Szabolcs Góger, Mohammad Reza Karimpour, Alexandre Tkatchenko
The Journal of Physical Chemistry. A
|
September 20, 2021
The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr → RH + Br (R = CH<sub>3</sub>, HO) Systems
Benjámin Csorba, Péter Szabó, Szabolcs Góger, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 11, 2023
Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space
Szabolcs Góger, Leonardo Medrano Sandonas, Carolin Müller, et al.
The Journal of Physical Chemistry Letters
|
June 29, 2023
Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties
Szabolcs Góger, Almaz Khabibrakhmanov, Ornella Vaccarelli, et al.
Physical Review Letters
|
March 4, 2022
Four-Dimensional Scaling of Dipole Polarizability in Quantum Systems
Péter Szabó, Szabolcs Góger, Jorge Charry, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
The Journal of Chemical Physics
|
October 15, 2025
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillators
Almaz Khabibrakhmanov, Dmitry V Fedorov, Alberto Ambrosetti, et al.
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Search research articles
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Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
July 17, 2024
Four-Dimensional Scaling of Dipole Polarizability: From Single-Particle Models to Atoms and Molecules
Szabolcs Góger, Mohammad Reza Karimpour, Alexandre Tkatchenko
The Journal of Physical Chemistry. A
|
September 20, 2021
The Role of Zero-Point Vibration and Reactant Attraction in Exothermic Bimolecular Reactions with Submerged Potential Barriers: Theoretical Studies of the R + HBr → RH + Br (R = CH<sub>3</sub>, HO) Systems
Benjámin Csorba, Péter Szabó, Szabolcs Góger, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 11, 2023
Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space
Szabolcs Góger, Leonardo Medrano Sandonas, Carolin Müller, et al.
The Journal of Physical Chemistry Letters
|
June 29, 2023
Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties
Szabolcs Góger, Almaz Khabibrakhmanov, Ornella Vaccarelli, et al.
Physical Review Letters
|
March 4, 2022
Four-Dimensional Scaling of Dipole Polarizability in Quantum Systems
Péter Szabó, Szabolcs Góger, Jorge Charry, et al.
The Journal of Chemical Physics
|
November 7, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
Jan Hermann, Martin Stöhr, Szabolcs Góger, et al.
The Journal of Chemical Physics
|
October 15, 2025
Accurate noncovalent interactions in atomistic systems via quantum Drude oscillators
Almaz Khabibrakhmanov, Dmitry V Fedorov, Alberto Ambrosetti, et al.
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of 1