Energy extended

The fact that the electrochemical oxidation of ds-[M2(cp)2(/r-SR)2(CO)4] and of [M2(/r-SR)2(CO)8] is reversible despite the amount of structural reorganization involved suggests that these changes require low activation energy. Extended Htlckel Molecular Orbital (EHMO) calculations on the model complex ds-13 (R = H) indicated that the Lowest Unoccupied Molecular Orbital (LUMO) was the level [47]. Weakening of the... [Pg.575]

By making a small opening in the wall of a nuclear reactor, a beam of neutrons can be obtained. The neutrons in such a beam have kinetic energies extending over a considerable range, but a monochromatic beam, i.e., a beam composed of... [Pg.498]

While the above structure of a-(Ala) has a low conformational energy (Ramachandran etal., 1966b), other helices of this type have comparable energies. In fact, a trough of low energy extends from about = - 47°,... [Pg.259]

Li+ + H2 (H2 distance close to equilibrium) SCF + estimate of correlation energy (extended sp basis of Gaussian lobe functions) 2 60... [Pg.151]

Problem 40-7. Show that the selection rules forbid a hydrogen atom in a rectangular box to radiate its translational kinetic energy. Extend the proof to any atom in any kind of box. [Pg.314]

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