International audienceThe performance of recent density functionals for computation of molecular magnetic coupling constants (J) in hydrogen-bonded systems is evaluated. A survey of six Cu(II) dinuclear complexes is considered. The global accuracy trend is GGA
The accuracy of post-B3LYP functionals is analyzed using an open-shell database of Cu(II) dinuclear ...
International audienceThe exchange coupling in a structuraly characterized CuII2 complex is analyzed...
The magnetic exchange interaction in the quasi one-dimensional chain complex [Cu-2(hedp)(2)](n)(4n-)...
International audienceThe performance of recent density functionals for computation of molecular mag...
695-698The density functional theory (DFT) has been used to calculate magnetic coupling constants of...
The performance of density functional theory in estimating the magnetic coupling constant in a serie...
The performance of density functional theory in estimating the magnetic coupling constant in a serie...
Abstract: The performance of density functional theory in estimating the magnetic coupling constant ...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
We have investigated the magnetic properties of a recently synthesized dinuclear complex, [Cu-2(mu-O...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
We have investigated the magnetic properties of a recently synthesized dinuclear complex, [Cu2(μ-OAc...
The accuracy of post-B3LYP functionals is analyzed using an open-shell database of Cu(II) dinuclear ...
The accuracy of post-B3LYP functionals is analyzed using an open-shell database of Cu(II) dinuclear ...
International audienceThe exchange coupling in a structuraly characterized CuII2 complex is analyzed...
The magnetic exchange interaction in the quasi one-dimensional chain complex [Cu-2(hedp)(2)](n)(4n-)...
International audienceThe performance of recent density functionals for computation of molecular mag...
695-698The density functional theory (DFT) has been used to calculate magnetic coupling constants of...
The performance of density functional theory in estimating the magnetic coupling constant in a serie...
The performance of density functional theory in estimating the magnetic coupling constant in a serie...
Abstract: The performance of density functional theory in estimating the magnetic coupling constant ...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
We have investigated the magnetic properties of a recently synthesized dinuclear complex, [Cu-2(mu-O...
International audienceThe reliable prediction of Cu(II) hyperfine coupling constants remains a chall...
We have investigated the magnetic properties of a recently synthesized dinuclear complex, [Cu2(μ-OAc...
The accuracy of post-B3LYP functionals is analyzed using an open-shell database of Cu(II) dinuclear ...
The accuracy of post-B3LYP functionals is analyzed using an open-shell database of Cu(II) dinuclear ...
International audienceThe exchange coupling in a structuraly characterized CuII2 complex is analyzed...
The magnetic exchange interaction in the quasi one-dimensional chain complex [Cu-2(hedp)(2)](n)(4n-)...
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