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metallocenes DOI: doi:10.19061/iochem-bd-7-4
metallocenes
This dataset derived results are published in:
Manuscript title: Spin?state energetics of metallocenes: How do best wave function and density functional theory results compare with the experimental data?
Journal: PCCP
DOI: 10.1039/D0CP04727A
pentabpy
pentabpy
This dataset derived results are published in:
Manuscript title: Heptacoordinated W(IV) Cyanido Supramolecular Complex Trapped by Photolysis of a [W(CN)6(bpy)]2-/Zn2+ System
Journal: Cryst. Growth Des.
Discover
Subject
- 170 Spin crossover
- 121 Metalloenzymes
- 121 Porphyrinoids
- 121 Reaction mechanisms
- 121 Tautomerism
- 34 Metallocenes
- 17 Cyanides
- 17 Tungsten
- 15 spin-state energetics
Basis
- 79 def2-TZVP
- 65 DEF2TZVP
- 54 DEF2SV DEF2SVP GEN
- 2 GEN
- 2 pob-TZVP
Stoichiometry
Calculation type
Institution