DFT study of reductive functionalization in cis and trans cobalt-methyl-bipyridine complexes

Physics & Astronomy

• ligands 57%
• cobalt 53%
• free energy 46%
• density functional theory 43%
• attack 41%
• nucleophiles 33%
• hydroxides 21%
• margins 20%
• metals 19%
• isomers 18%
• hydrocarbons 18%
• catalysts 17%
• dissociation 15%
• ground state 12%

Medicine & Life Sciences

• Density Functional Theory 100%
• Cobalt 68%
• Ligands 40%
• Coordination Complexes 28%
• Hydrocarbons 24%
• hydroxide ion 21%
• Catalytic Domain 17%
• Metals 16%

Chemical Compounds

• Gibbs Free Energy 43%
• Bipyridine 41%
• Homolysis 24%
• Spin State 21%
• Energy Barrier 18%
• Electron Spin 15%
• Transition State 15%
• Hydroxide 15%
• Ground State 15%
• Dissociation 13%
• Hydrocarbon 13%
• Compound Isomer 13%
• Density Functional Theory 11%
• Catalyst 7%