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Physical Chemistry Chemical Physics : PCCP
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February 17, 2022
The effects of solvation on the back reaction and storage capabilities of solar thermal energy storage systems
Ida Lützen Hoff Kjeldsen, Julie Franck Høvring, Theo Juncker von Buchwald, et al.
The Journal of Chemical Physics
|
July 17, 2024
The x-ray absorption spectrum of the tert-butyl radical: An experimental and computational investigation
Dorothee Schaffner, Theo Juncker von Buchwald, Emil Karaev, et al.
Journal of Chemical Theory and Computation
|
February 5, 2026
Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response
Theo Juncker von Buchwald, Erik Rosendahl Kjellgren, Jacob Kongsted, et al.
Journal of Chemical Theory and Computation
|
August 6, 2024
Reduced Density Matrix Formulation of Quantum Linear Response
Theo Juncker von Buchwald, Karl Michael Ziems, Erik Rosendahl Kjellgren, et al.
The Journal of Chemical Physics
|
January 9, 2025
Cluster perturbation theory. XI. Excitation-energy series using a variational excitation-energy function
Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald, et al.
The Journal of Physical Chemistry. A
|
November 13, 2024
Cluster Perturbation Theory for Core Excited States and Core Ionization Potentials Using Core-Valence Separation
Andreas Erbs Hillers-Bendtsen, Theo Juncker von Buchwald, Magnus Bukhave Johansen, et al.
Science Advances
|
April 24, 2024
A variational reformulation of molecular properties in electronic-structure theory
Poul Jørgensen, Jeppe Olsen, Magnus Bukhave Johansen, et al.
The Journal of Chemical Physics
|
June 26, 2026
The x-ray absorption spectrum of the propargyl radical C3H3●
Dorothee Schaffner, Theo Juncker von Buchwald, Jacob Pedersen, et al.
The Journal of Physical Chemistry. A
|
October 27, 2025
Penguin: A Python-Based Program for Electronic Structure Calculations Based on Coupled Cluster Theory
Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald, et al.
The Journal of Chemical Physics
|
November 12, 2024
Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order
Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Machholdt Høyer, et al.
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Search research articles
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
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Physical Chemistry Chemical Physics : PCCP
|
February 17, 2022
The effects of solvation on the back reaction and storage capabilities of solar thermal energy storage systems
Ida Lützen Hoff Kjeldsen, Julie Franck Høvring, Theo Juncker von Buchwald, et al.
The Journal of Chemical Physics
|
July 17, 2024
The x-ray absorption spectrum of the tert-butyl radical: An experimental and computational investigation
Dorothee Schaffner, Theo Juncker von Buchwald, Emil Karaev, et al.
Journal of Chemical Theory and Computation
|
February 5, 2026
Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response
Theo Juncker von Buchwald, Erik Rosendahl Kjellgren, Jacob Kongsted, et al.
Journal of Chemical Theory and Computation
|
August 6, 2024
Reduced Density Matrix Formulation of Quantum Linear Response
Theo Juncker von Buchwald, Karl Michael Ziems, Erik Rosendahl Kjellgren, et al.
The Journal of Chemical Physics
|
January 9, 2025
Cluster perturbation theory. XI. Excitation-energy series using a variational excitation-energy function
Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald, et al.
The Journal of Physical Chemistry. A
|
November 13, 2024
Cluster Perturbation Theory for Core Excited States and Core Ionization Potentials Using Core-Valence Separation
Andreas Erbs Hillers-Bendtsen, Theo Juncker von Buchwald, Magnus Bukhave Johansen, et al.
Science Advances
|
April 24, 2024
A variational reformulation of molecular properties in electronic-structure theory
Poul Jørgensen, Jeppe Olsen, Magnus Bukhave Johansen, et al.
The Journal of Chemical Physics
|
June 26, 2026
The x-ray absorption spectrum of the propargyl radical C3H3●
Dorothee Schaffner, Theo Juncker von Buchwald, Jacob Pedersen, et al.
The Journal of Physical Chemistry. A
|
October 27, 2025
Penguin: A Python-Based Program for Electronic Structure Calculations Based on Coupled Cluster Theory
Andreas Erbs Hillers-Bendtsen, Magnus Bukhave Johansen, Theo Juncker von Buchwald, et al.
The Journal of Chemical Physics
|
November 12, 2024
Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order
Andreas Erbs Hillers-Bendtsen, Frederik Ørsted Kjeldal, Nicolai Machholdt Høyer, et al.
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of 1