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Spectra And Geometries Of Ar+ N (N = 30 - 60) [Invited], Jose Gascon, Randall W. Hall
Spectra And Geometries Of Ar+ N (N = 30 - 60) [Invited], Jose Gascon, Randall W. Hall
Randall W. Hall
We report finite temperature simulations of AR+n (N = 30−60) using a semiempirical model Hamiltonian. We calculate the photoabsorption spectra and analyze the charge distribution in both ground and excited states. The maximum photoabsorption wavelength for this set of clusters is in good agreement with experimental data. We analyze the average position of the atoms and the finite temperature distribution of the positive charge over the cluster. We find the charge localized on three atoms in the ground state and over the first two solvation spheres in the excited states. The extent of delocalization in the excited states can be …
Metal Binding Studies With Macrocyclic Hexathioethers: Transition Metal Complexes Of 22s6 And 20s6”,, Gregory Grant, Christopher Brandow, Chrystal Bruce, Mark Brandt, Rebecca Kirk, Sabrina Lee, Kerry Robinson, Larry Mehne
Metal Binding Studies With Macrocyclic Hexathioethers: Transition Metal Complexes Of 22s6 And 20s6”,, Gregory Grant, Christopher Brandow, Chrystal Bruce, Mark Brandt, Rebecca Kirk, Sabrina Lee, Kerry Robinson, Larry Mehne
Chrystal D. Bruce
No abstract provided.