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Semiempirical Molecular Orbital Calculations and Molecular Energies. A New Formula for the β Parameter

✍ Scribed by Coffey, Patrick.; Jug, Karl.

Book ID
127393772
Publisher
American Chemical Society
Year
1973
Tongue
English
Weight
615 KB
Volume
95
Category
Article
ISSN
0002-7863

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📜 SIMILAR VOLUMES

A generalized formula for the energies o
A generalized formula for the energies of alternant molecular orbitals. I. Homonuclear molecules
✍ N. N. Tyutyulkov 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 260 KB

## Abstract Using the method of alternant molecular orbitals (AMO) it is shown that the energies of AMO's (__E__~__k__~), for any alternant homonuclear molecule having a singlet ground state, are connected with the energies of the MO's (__e__~__k__~) obtained by the conventional Hartree–Fock (HF) m