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An analysis of α-particle inelastic scattering using Hartree-Fock densities

✍ Scribed by Raymond S. Mackintosh

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
656 KB
Volume
198
Category
Article
ISSN
0375-9474

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✍ Pavel Jungwirth; Dominique Stussi; Jacques Weber 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 535 KB

The gas-phase protonation mechanism of ferrocene is investigated using an effective potential describing electrostatic, polarization and short-range repulsion energy components. The parameters of the potential are deduced from a least-squares tit to energy profiles calculated using local-spin densit