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- W1992508082 abstract "Ammonia and ethane undergo interesting internal motions which are not easily described within the theory of simple harmonic motion. We discuss a series of calculations on these systems based on a Hamiltonian operator including kinetic energy terms for protons, and treating proton-electron interactions as two-particle terms. A formalism derived from Frost's “Lewis orbital” model of electronic structure is outlined, and results for planar and pyramidal NH3 and staggered and eclipsed C2H6 are reported. The possibility of interconversion of energetically equivalent “geometric configurations” suggests a calculation of the frequency of interconversion by a kind of configuration interaction related to resonance theory. Preliminary results of such calculations on NH3 are summarized." @default.
- W1992508082 created "2016-06-24" @default.
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- W1992508082 date "2009-06-18" @default.
- W1992508082 modified "2023-09-25" @default.
- W1992508082 title "Floating spherical gaussian calculations on systems of protons and electrons" @default.
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- W1992508082 doi "https://doi.org/10.1002/qua.560050838" @default.
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