Search research articles
Contact Us
Filters
Showing results (101-110 of 120) with videos related to
Page
of 12
Sort By:
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 2, 2021
A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives
Ramiro S Galeano Carrano, Patricio F Provasi, Marta B Ferraro, et al.
Angewandte Chemie (International Ed. in English)
|
April 8, 2011
Heterobimetallic nitride complexes from terminal chromium(V) nitride complexes: hyperfine coupling increases with distance
Jesper Bendix, Christian Anthon, Magnus Schau-Magnussen, et al.
Journal of Chemical Theory and Computation
|
May 1, 2024
Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer
Peter Reinholdt, Erik Rosendahl Kjellgren, Juliane Holst Fuglsbjerg, et al.
Journal of Chemical Theory and Computation
|
March 18, 2026
Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework
Juliane H Fuglsbjerg, Peter Reinholdt, Erik Kjellgren, et al.
The Journal of Organic Chemistry
|
February 6, 2019
Entropy/Enthalpy Compensation in Anion Binding: Biotin[6]uril and Biotin-l-sulfoxide[6]uril Reveal Strong Solvent Dependency
Nicolaj N Andersen, Kristina Eriksen, Micke Lisbjerg, et al.
The Journal of Chemical Physics
|
April 1, 2023
Indirect nuclear spin-spin couplings with third-order contributions added to the SOPPA method
Javier Sanz Rodrigo, Andreas Erbs Hillers-Bendtsen, Frederik Ø Kjeldal, et al.
Journal of Chemical Theory and Computation
|
May 3, 2024
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
Phillip W K Jensen, Erik Rosendahl Kjellgren, Peter Reinholdt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 19, 2017
Molecular Switching in Confined Spaces: Effects of Encapsulating the DHA/VHF Photo-Switch in Cucurbiturils
Michael Å Petersen, Brian Rasmussen, Nicolaj N Andersen, et al.
Journal of Chemical Theory and Computation
|
April 25, 2024
Which Options Exist for NISQ-Friendly Linear Response Formulations?
Karl Michael Ziems, Erik Rosendahl Kjellgren, Peter Reinholdt, et al.
Page
of 12
Search research articles
Search
Showing results (101-110 of 120) with videos related to
Sort By:
Page
of 12
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.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
February 2, 2021
A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives
Ramiro S Galeano Carrano, Patricio F Provasi, Marta B Ferraro, et al.
Angewandte Chemie (International Ed. in English)
|
April 8, 2011
Heterobimetallic nitride complexes from terminal chromium(V) nitride complexes: hyperfine coupling increases with distance
Jesper Bendix, Christian Anthon, Magnus Schau-Magnussen, et al.
Journal of Chemical Theory and Computation
|
May 1, 2024
Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer
Peter Reinholdt, Erik Rosendahl Kjellgren, Juliane Holst Fuglsbjerg, et al.
Journal of Chemical Theory and Computation
|
March 18, 2026
Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework
Juliane H Fuglsbjerg, Peter Reinholdt, Erik Kjellgren, et al.
The Journal of Organic Chemistry
|
February 6, 2019
Entropy/Enthalpy Compensation in Anion Binding: Biotin[6]uril and Biotin-l-sulfoxide[6]uril Reveal Strong Solvent Dependency
Nicolaj N Andersen, Kristina Eriksen, Micke Lisbjerg, et al.
The Journal of Chemical Physics
|
April 1, 2023
Indirect nuclear spin-spin couplings with third-order contributions added to the SOPPA method
Javier Sanz Rodrigo, Andreas Erbs Hillers-Bendtsen, Frederik Ø Kjeldal, et al.
Journal of Chemical Theory and Computation
|
May 3, 2024
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
Phillip W K Jensen, Erik Rosendahl Kjellgren, Peter Reinholdt, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
September 19, 2017
Molecular Switching in Confined Spaces: Effects of Encapsulating the DHA/VHF Photo-Switch in Cucurbiturils
Michael Å Petersen, Brian Rasmussen, Nicolaj N Andersen, et al.
Journal of Chemical Theory and Computation
|
April 25, 2024
Which Options Exist for NISQ-Friendly Linear Response Formulations?
Karl Michael Ziems, Erik Rosendahl Kjellgren, Peter Reinholdt, et al.
Page
of 12