| Literature DB >> 21923085 |
Cory C Pye1, Victoria E J Walker.
Abstract
The geometries, energies, and vibrational frequencies of various isomers of XO(4)(m-)(H2O)n, x = Cl, Br, Se, As, V; n = 0-6, m = 1-3 are calculated at various levels up to MP2/6-31+G*. These properties are studied as a function of increasing cluster size. The experimental and theoretical vibrational spectra are compared where available.Entities:
Year: 2011 PMID: 21923085 DOI: 10.1021/jp204783g
Source DB: PubMed Journal: J Phys Chem A ISSN: 1089-5639 Impact factor: 2.781