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The electronic excited states in polypeptides of the β conformation corresponding to the lowest energy π—π * transition are derived from molecular‐exciton theory. Transition energies are calculated in the monopole—monopole approximation, and the results are compared with polarized film...
A calculation of the ionization potential of various atoms has been done by assuming a pseudocore potential in the form of a simple analytical expression. The results calculated by using the variational method on hydrogenlike orbitals are in reasonable agreement with the experimental values.
The pressure for four, 12, and 72 hard disks determined dynamically from the virial theorem or the collision rate is shown to be identical to that determined by the Monte Carlo method. To show this equivalence, it is necessary to take into account that the center‐of‐mass velocity is kept...
Several results are presented which have important implications for the calculation of many‐electron wavefunctions. Electron‐pair functions are constructed to be eigenfunctions of the two‐electron inversion, permutation, and angular‐momentum operators with quantum numbers L and M. For a...
Surface dye sensitization of amorphous Se has been studied. Maximum quantum efficiencies measured were in the range from 10 −2 to 10 −1 . The dye coatings were deposited onto the surfaces from their respective methanol or benzene solutions. Five dyes were used for the sensitization: crystal...
The 17 O NMR signal of manganese (III) tris(acetylacetonate) was studied in the temperature range 26°—83°. From the temperature dependence of the shift of this signal, a hyperfine interaction constant of 1.88 G is found. This result is used to estimate the covalent character of the σ...
Spectra of pure HCl and HCl☒SF 6 mixtures were taken in the range 350 to 520 cm −1 , and of HBr, HBr☒SF 6 , HBr☒CF 4 in the range 310 to 470 cm −1 . For the mixtures, clearly defined peaks are observed at frequencies in these regions for the Δ J =2 selection rule of...
A theory is presented for the paramagnetic catalysis of ortho—para transitions in molecular hydrogen, deuterium, and tritium. The cause for reaction is taken to be an inhomogeneous magnetic field, orginating from a catalyst molecule and operative during the binary collisions of catalyst and...
A photoionization mass spectrometer has been employed to study charge transfer involving 2 P 3/2 argon ions at ion‐source pressures 15 to 60 μ and with a source acceleration potential of 0.5 eV. The average energy of the reacting ions are calculated and are found to be less than 0.17 eV. The...
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