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Extended density functional theory and wave function-based correlated
methods, improved solvation models, and more accurate NMR prediction
accessed from an elegant, easy-to-use graphical interface. Spartan'16 is
an ideal application for chemical research and education.
Take advantage of up to 12 cores per calculation and access ≈275,000 structures, properties, and NMR spectra from ωB97X-D/6-31G* included in the accompanying Spartan Spectra & Properties Database. Spartan'16 Parallel Suite provides modern computational models behind a state-of-the-art interface for application of molecular modeling in chemistry research.

The Spartan Spectra and Properties Database (SSPD) is a collection of infrared and proton and 13C NMR spectra, together with a variety of atomic and molecular properties, QSAR descriptors and thermodynamic properties for ~250,000 molecules with molecular weights up to 500 amu.

Spartan Student Edition provides affordable molecular modeling software that takes advantage of modern computational methods to explore fundamental concepts in general, organic, physical, and inorganic chemistry courses.

Spartan Student Edition provides affordable molecular modeling software that takes advantage of modern computational methods to explore fundamental concepts in general, organic, physical, and inorganic chemistry courses.

The SMD offers users an extensive collection of structures and properties or organic molecules that have been conformationally searched (with MMFF) and structurally optimized at up to 10 Quantum Mechanical theoretical models.