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The Journal of Chemical Physics
|
March 27, 2024
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework
Erik Rosendahl Kjellgren, Peter Reinholdt, Aaron Fitzpatrick, et al.
Journal of Chemical Theory and Computation
|
August 11, 2025
Hyperfine Coupling Constants on Quantum Computers: Performance, Errors, and Future Prospects
Phillip W K Jensen, Gustav Stausbøll Hedemark, Karl Michael Ziems, et al.
The Journal of Physical Chemistry. A
|
July 18, 2024
Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
Dániel Nagy, Peter Reinholdt, Phillip W K Jensen, et al.
ACS Omega
|
August 29, 2019
Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties
Sidsel A Bogh, Mats Simmermacher, Michael Westberg, et al.
Inorganic Chemistry
|
July 18, 2024
Capturing Mercury-197m/g for Auger Electron Therapy and Cancer Theranostic with Sulfur-Containing Cyclen-Based Macrocycles
Marianna Tosato, Parmissa Randhawa, Mattia Asti, et al.
Physical Review Letters
|
March 30, 2021
Free Molecule Studies by Perturbed γ-γ Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments
Heinz Haas, Jens Röder, Joao G Correia, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
Angewandte Chemie (International Ed. in English)
|
June 19, 2022
Magnesium(II)-ATP Complexes in 1-Ethyl-3-Methylimidazolium Acetate Solutions Characterized by <sup>31</sup> Mg β-Radiation-Detected NMR Spectroscopy
Ryan M L McFadden, Dániel Szunyogh, Nicholas Bravo-Frank, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 4, 2018
Direct observation of Mg<sup>2+</sup> complexes in ionic liquid solutions by <sup>31</sup>Mg β-NMR spectroscopy
Daniel Szunyogh, Ryan M L McFadden, Victoria L Karner, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
October 14, 2014
The Dalton quantum chemistry program system
Kestutis Aidas, Celestino Angeli, Keld L Bak, et al.
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of 12
Search research articles
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Showing results (111-120 of 120) with videos related to
Sort By:
Page
of 12
You have reached the last page of results.
This site can display upto 120 results.
The Journal of Chemical Physics
|
March 27, 2024
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework
Erik Rosendahl Kjellgren, Peter Reinholdt, Aaron Fitzpatrick, et al.
Journal of Chemical Theory and Computation
|
August 11, 2025
Hyperfine Coupling Constants on Quantum Computers: Performance, Errors, and Future Prospects
Phillip W K Jensen, Gustav Stausbøll Hedemark, Karl Michael Ziems, et al.
The Journal of Physical Chemistry. A
|
July 18, 2024
Electric Field Gradient Calculations for Ice VIII and IX Using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators
Dániel Nagy, Peter Reinholdt, Phillip W K Jensen, et al.
ACS Omega
|
August 29, 2019
Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties
Sidsel A Bogh, Mats Simmermacher, Michael Westberg, et al.
Inorganic Chemistry
|
July 18, 2024
Capturing Mercury-197m/g for Auger Electron Therapy and Cancer Theranostic with Sulfur-Containing Cyclen-Based Macrocycles
Marianna Tosato, Parmissa Randhawa, Mattia Asti, et al.
Physical Review Letters
|
March 30, 2021
Free Molecule Studies by Perturbed γ-γ Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments
Heinz Haas, Jens Röder, Joao G Correia, et al.
The Journal of Chemical Physics
|
June 8, 2020
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Jógvan Magnus Haugaard Olsen, Simen Reine, Olav Vahtras, et al.
Angewandte Chemie (International Ed. in English)
|
June 19, 2022
Magnesium(II)-ATP Complexes in 1-Ethyl-3-Methylimidazolium Acetate Solutions Characterized by <sup>31</sup> Mg β-Radiation-Detected NMR Spectroscopy
Ryan M L McFadden, Dániel Szunyogh, Nicholas Bravo-Frank, et al.
Dalton Transactions (Cambridge, England : 2003)
|
October 4, 2018
Direct observation of Mg<sup>2+</sup> complexes in ionic liquid solutions by <sup>31</sup>Mg β-NMR spectroscopy
Daniel Szunyogh, Ryan M L McFadden, Victoria L Karner, et al.
Wiley Interdisciplinary Reviews. Computational Molecular Science
|
October 14, 2014
The Dalton quantum chemistry program system
Kestutis Aidas, Celestino Angeli, Keld L Bak, et al.
Page
of 12