β Scribed by Jaime E. Combariza; Neil R. Kestner; Joshua Jortner
No coin nor oath required. For personal study only.
We have studied the structure and energetics of halide anion-water clusters X-(H,O),, X&I, Br, I, and n= l-6 by ab initio molecular orbital calculations at the MP2 level. Information on energy-structure relationships emerged from the calculated ionization potentials, which are in good agreement with experiment for n= I, 3, reveal the energetic stability of the surface anion state for n=4, 5 and indicate the transition from surface to interior anion states for n=6.
π SIMILAR VOLUMES
The formation and stability of aqueous clusters of nitric acid were studied utilizing a free-jet expansion techmque, coupled with electron impact ionization mass spectrometry. Evidence for the onset of salvation at very small cluster srzes is presented.
In order to understand the roles of bulk friction and solvation in barrier crossing reactions, here we report our first study of the isomerization rates for a beam of t-stilbene-hexane, clusters, n = 1-5, at excess energies covering the range Ecx = 0-4000 cm-1. We observe that rates measured at exce
The distributions of protonated ternary clusters containing water (W), methanol (M) and acetonitrile (A) have been studied as a function of composition using EI ionization of the ternary cluster beam. The cluster distributions show enhanced ion intensities for the sequence H+ W.M,A.+, indicating sol