Acquisition of Bruker AC-80 NMR with MacSpect 3 MNMR System

This award from the Academic Research Infrastructure Program will help the Department of Chemistry at University of Mississippi acquire a SGI Power Challenge L with four R8000 processors and 128MB of memory. The research activity to be supported includes high level ab initio and density functional calculations on a variety of molecules and reaction surfaces and rotational spectral modeling and fitting of weakly bound molecules. A workstation network of fast, modern computer workstations is a new way to satisfy the computing needs of chemistry departments. Such a "computer network" also serves as a development environment for new theoretical codes and algorithms, provides state-of-the-art graphics and visualization facilities.