The Spartan Parallel Suite can interface a number of invaluable Databases including the Spartan Spectra and Properties Database (SSPD), a collection of more than 300,000 molecules. Entries included structures, energies, and a host of molecular and atomic properties as well as IR and NMR spectra, pre-calculated with well-documented computational approaches (ωB97X-D and EDF2 functionals). Spartan software also interfaces the Cambridge Structural Database. The CSD is the world's repository for small molecule crystal data and comprises more than 900,000 X-ray crystal structures. All Spartan versions can seamlessly retrieve entries in the Protein Data Bank.
SPARTAN SPECTRA AND PROPERTIES DATABASE (SSPD)
The Spartan Spectra and Properties Database (SSPD) is a collection of 13C and proton NMR and infrared spectra, together with a variety of atomic and molecular properties, QSAR descriptors and thermodynamic properties for >300,000 molecules with molecular weights up to 800 amu.
