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The drift and Hall mobility of electrons in 10 M NaOH glassy alkaline ice has been studied to determine the relevant charge transport mechanisms in this disordered system. The electrons are photoexcited to a conduction state after being trapped in the matrix at 77 K by γ irradiation. The...
Accurate Hartree‐Fock wavefunctions were computed by the matrix expansion method of Roothaan for the ground state ( 3 Σ) of AsF at several internuclear separations. The equilibrium internuclear separation ( r e ) was deduced to be 1.72 Å based on a Dunham analysis. It is concluded that the...
Equilibrium was established in both directions of the proton transfer reaction O 2 H + +H 2 ⇄H 3 + +O 2 O 2 H + + H 2 ⇄ H 3 + + O 2 proceeding in a flowing afterglow system. The equilibrium constant K was measured from equilibrium concentrations to be 1.05 ± 0.12 at 297°K. Limits to the...
Ab initio configuration‐interaction (CI) calculations were carried out for low‐lying 2 Π, 4 Π, 2 Σ + , 2 Σ − , 4 Σ − , 2 Δ, and 2 Φ valence states of the PO molecule at 11 internuclear distances from 2.45 to 6.5 a.u. All configurations that can be formed from a minimal basis set of...
An analytic recursion relation for the calculation of expectation values of any power of the internuclear displacement from equilibrium in an arbitrary vibration‐rotation level of 1 Σ‐state diatomic molecules is derived via an iterative solution of the hypervirial theorem. Explicit results,...
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