A voided crossings influence spectra and intramolecular redistribution of energy. A semiclassical theory of these avoided crossings shows that when primitive semiclassical eigenvalues are plotted vsâ€¦ (More)

The initial part of this article discusses some recent experiments on electron transfer reactions and comments on the related theor y, including the frequency of solvent fluctuations. Also describedâ€¦ (More)

We report calculations of vibrationally resolved cross sections and photoelectron angular distributions for photoionization of 0 2 leading to the X llg ( v + = 0-4) states of 0 2+ using Hartree-Fockâ€¦ (More)

We report results from computational studies of the interaction of low-energy electrons with the purine bases of DNA, adenine and guanine, as well as with the associated nucleosides, deoxyadenosineâ€¦ (More)

Quantum calculations are reported for the intramolecular vibrational energy redistribution and absorption spectra of the first two excited states of the acetylenic CH stretch vibration in theâ€¦ (More)

We report reconstruction geometries for the (110) surfaces of InSb. InAs, InP, GaSb, and AISb based on theoretical calculations on cluster models. The surface strains are in excellent accord withâ€¦ (More)