Computational modeling of octahedral iron oxide clusters: Hexaaquairon(III) and its dimers

INIS

• energy 81%
• dimers 81%
• excitation 45%
• iron oxides 45%
• metals 27%
• charges 27%
• ligands 27%
• spin 27%
• monomers 27%
• solutions 18%
• transfer (energy) 18%
• evaluation 9%
• comparative evaluations 9%
• units 9%
• environment 9%
• oxides 9%
• minerals 9%
• distance 9%
• relaxation 9%
• computerized simulation 9%
• iron 9%
• density functional method 9%
• electrostatics 9%
• crystal structure 9%
• optical properties 9%
• excited states 9%
• hydroxides 9%
• dimerization 9%
• antiferromagnetism 9%
• thermodynamic properties 9%
• hartree-fock method 9%

Chemistry

• Energy 100%
• Procedure 45%
• Iron Oxide 45%
• Structure 36%
• Monomer 27%
• Ligand 27%
• Metal 27%
• Aqueous Solution 18%
• Charge Transfer 18%
• Spin State 18%
• Chemical Reaction 18%
• Vacuum 18%
• Density Functional Theory 9%
• Crystal Structure 9%
• Oxide 9%
• Optical Property 9%
• Photoexcitation 9%
• Thermodynamic Property 9%
• Hydroxide 9%
• Antiferromagnetic 9%
• Electron Spin 9%
• Charge Transfer State 9%
• Excited State 9%
• Hexaaquairon 9%
• Analytical Method 9%
• Time 9%
• Relaxation 9%
• Environment 9%
• Computer Simulation 9%
• Ferromagnetic 9%
• Iron 9%
• Møller-Plesset Perturbation Theory 9%
• Mineral 9%
• Dimerization 9%