Theoretical studies of fine-structure effects and long-range forces : potential-energy surfaces and reactivity of O(3P)+OH(2Π)

The role of fine structure in reactions without barriers in the potential-energy surface is examined in general, and calculations are carried out for the specific case of O+OH→H+O2. The long-range Hamiltonian, including electrostatic (dipole–quadrupole and quadrupole–quadrupole) and spin-oribt inter...

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Veröffentlicht in:The Journal of chemical physics 1990-02, Vol.92 (4), p.2423-2439
Hauptverfasser: GRAFF, M. M, WAGNER, A. F
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Sprache:eng
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