Comparison of density functionals for energy and structural differences between the high- [5T2g:(t2g)4(eg)2] and low- [1A1g:(t2g)6(eg)0] spin states of iron(II) coordination compounds. II. More functionals and the hexaminoferrous cation, [Fe(NH3)6]2+
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1839854
Reference63 articles.
1. Spin Transitions in six-coordinate iron(II) complexes
2. Thermal and Optical Switching of Iron(II) Complexes
3. Free Energy of Spin-Crossover Complexes Calculated with Density Functional Methods
4. Reparameterization of hybrid functionals based on energy differences of states of different multiplicity
5. Assertion and validation of the performance of the B3LYP⋆ functional for the first transition metal row and the G2 test set
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