Role of frontier orbitals in chemical reactions.

@article{Fukui1982RoleOF,
  title={Role of frontier orbitals in chemical reactions.},
  author={K. Fukui},
  journal={Science},
  year={1982},
  volume={218 4574},
  pages={
          747-54
        }
}
  • K. Fukui
  • Published 1982
  • Chemistry, Medicine
  • Science
Since the 3rd century for more than a thousand years chemistry has been thought of as a complicated, hard-to-predict science. Efforts to improve even a part of its unpredictable character are said to have born fruit first of all in the success of the " electronic theory ". This was founded mainly by organic chemists , such as Fry, Stieglitz, Lucas, Lapworth and Sidgwick, brought to a completed form by Robinson and Ingold, and developed later by many other chemists. 1 In the electronic theory… Expand
On the position of the potential wall in DFT temporary anion calculations.
Modeling temporary anions in density functional theory: calculation of the Fukui function.
The bonding of CO to metal surfaces
...
1
2
3
4
5
...