articleTop 10% cited
Definition of corresponding orbitals and the diradical character in broken symmetry DFT calculations on spin coupled systems
Journal of Physics and Chemistry of Solids · 2004 · Vol. 65(4) · pp. 781–785
Frank Neese✉(Max Planck Society)
Magnetism in coordination complexesElectron Spin Resonance StudiesAdvanced NMR Techniques and ApplicationsDiradicalValence bond theoryAtomic orbitalWave functionOrbital overlapGeneralized valence bondChemistryLocalized molecular orbitalsMolecular orbitalSymmetry (geometry)
Funding
- Deutsche Forschungsgemeinschaft
- Max-Planck-Gesellschaft
Citations
488
FWCI
5.69
field-weighted impact
References
18
Percentile
97%
vs. same field & year
Citations per year
Cited by
Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling
Coordination Chemistry Reviews · 2008 · 1,052 citations
Density functional theory for transition metals and transition metal chemistry
Physical Chemistry Chemical Physics · 2009 · 1,643 citations
References
Second-order perturbation theory with a CASSCF reference function
The Journal of Physical Chemistry · 1990 · 3,301 citations
Second-order perturbation theory with a complete active space self-consistent field reference function
The Journal of Chemical Physics · 1992 · 3,836 citations
Ligand spin polarization and antiferromagnetic coupling in transition metal dimers
Chemical Physics · 1986 · 967 citations
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