title: Spectroscopic properties and stability of the SH x H2O open shell complex.
abstract: High level quantum chemical calculations on the open shell SH x H(2)O complex have been carried out using coupled-cluster theory. Two stable isomers of the complex are found. The equilibrium geometries, binding energies, and spectroscopic properties for both isomers of the SH x H(2)O open shell complex are presented. The bonding feature of the complexes is compared with another important open shell complex OH x H(2)O using the natural bond orbital theory.
authors.affiliation: Department of Chemistry, Purdue University, West Lafayette, Indiana 47907-1393, USA. dus@purdue.edu
authors.forename: Shiyu
authors.initials: S
authors.lastname: Du
authors.forename: Joseph S
authors.initials: JS
authors.lastname: Francisco