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Magnetic Resonance in Chemistry : MRC
|
September 15, 2004
The performance of hybrid density functional theory for the calculation of indirect nuclear spin-spin coupling constants in substituted hydrocarbons
Ola B Lutnaes, Torgeir A Ruden, Trygve Helgaker
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 13, 2006
The equilibrium structure of ferrocene
Sonia Coriani, Arne Haaland, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
January 3, 2019
A computational quantum-mechanical model of a molecular magnetic trap
Ludwik Adamowicz, Monika Stanke, Erik Tellgren, et al.
The Journal of Chemical Physics
|
December 25, 2016
Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting
Chandan Kumar, Thomas Kjærgaard, Trygve Helgaker, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
The Rotational g Tensor as a Benchmark for Density-Functional Theory Calculations of Molecular Magnetic Properties
David J D Wilson, Chris E Mohn, Trygve Helgaker
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2020
Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum
Jon Austad, Alex Borgoo, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
September 16, 2004
Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO
Torgeir A Ruden, Trygve Helgaker, Poul Jørgensen, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Second-order Møller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory
Pål Dahle, Trygve Helgaker, Dan Jonsson, et al.
The Journal of Chemical Physics
|
August 5, 2004
Linear-scaling formation of Kohn-Sham Hamiltonian: application to the calculation of excitation energies and polarizabilities of large molecular systems
Mark A Watson, Paweł Sałek, Peter Macak, et al.
The Journal of Chemical Physics
|
May 17, 2014
Differentiable but exact formulation of density-functional theory
Simen Kvaal, Ulf Ekström, Andrew M Teale, et al.
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of 12
Search research articles
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Showing results (31-40 of 117) with videos related to
Sort By:
Page
of 12
Magnetic Resonance in Chemistry : MRC
|
September 15, 2004
The performance of hybrid density functional theory for the calculation of indirect nuclear spin-spin coupling constants in substituted hydrocarbons
Ola B Lutnaes, Torgeir A Ruden, Trygve Helgaker
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 13, 2006
The equilibrium structure of ferrocene
Sonia Coriani, Arne Haaland, Trygve Helgaker, et al.
The Journal of Chemical Physics
|
January 3, 2019
A computational quantum-mechanical model of a molecular magnetic trap
Ludwik Adamowicz, Monika Stanke, Erik Tellgren, et al.
The Journal of Chemical Physics
|
December 25, 2016
Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting
Chandan Kumar, Thomas Kjærgaard, Trygve Helgaker, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
The Rotational g Tensor as a Benchmark for Density-Functional Theory Calculations of Molecular Magnetic Properties
David J D Wilson, Chris E Mohn, Trygve Helgaker
Physical Chemistry Chemical Physics : PCCP
|
October 20, 2020
Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum
Jon Austad, Alex Borgoo, Erik I Tellgren, et al.
The Journal of Chemical Physics
|
September 16, 2004
Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO
Torgeir A Ruden, Trygve Helgaker, Poul Jørgensen, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Second-order Møller-Plesset calculations on the water molecule using Gaussian-type orbital and Gaussian-type geminal theory
Pål Dahle, Trygve Helgaker, Dan Jonsson, et al.
The Journal of Chemical Physics
|
August 5, 2004
Linear-scaling formation of Kohn-Sham Hamiltonian: application to the calculation of excitation energies and polarizabilities of large molecular systems
Mark A Watson, Paweł Sałek, Peter Macak, et al.
The Journal of Chemical Physics
|
May 17, 2014
Differentiable but exact formulation of density-functional theory
Simen Kvaal, Ulf Ekström, Andrew M Teale, et al.
Page
of 12