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A Hartree-Fock SCF calculation of the activation energies for two SN2 reactions |
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| Authors: | A. J. Duke and R. F. W. Bader |
| Affiliation: | Department of Chemistry, McMaster University, Hamilton, Ontario, Canada |
| Abstract: | Roothaan Hartree-Fock SCF calculations for points on the F− + CH3F and CN− + CH3F minimum potential energy surfaces are reported. Considerable care has been taken in the choice of basis sets used to describe these systems. |
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