RESEARCH
SPARTAN'24
The latest release of the ultimate desktop application for chemistry research in industry and academia. A full range of theoretical models (including NEW Machine Learning Models) are available from the most intuitive user interface in the business. Enhanced, Refined, and Faster than ever. Spartan includes the Spartan Spectra and Properties Database, and the ability to act as a Computational Server for jobs submitted from other Spartan licenses (Spartan’16 or higher, remote submission not available from the Spartan Student Edition) or from iSpartan on the iPad, iPhone, or iPod Touch.
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SPARTAN SPECTRA AND PROPERTIES DATABASE (SSPD)
The Spartan Spectra and Properties Database (SSPD) is a collection of C and proton NMR, and infrared spectra, together with a wide range of calculated molecular (and atomic) properties, QSAR descriptors and thermodynamic data for >300,000 small molecules (up to molecular weight ~800 amus).
SOFTWARE COMPARISON CHART (PDF)
In order to best meet your needs, Wavefunction offers three versions of Spartan. Click here to download the Software Comparison Chart (pdf).
JOURNAL ARTICLES CITING SPARTAN (PDF)
Click here to download a list of journal articles citing Spartan (pdf).
Three new “Est. Density Functional Energy” machine learning models are described, assessed, and benchmarked in our latest paper available now: Journal of Computational Chemistry, 2025, 46(12), e70129. Publication Date: May 14, 2025.
The machine learning model “Est. Density Functional” definition, assessment and benchmarking paper has been released: Journal of Chemical Information and Modeling, 2025, 65, 5, 2314-2321. Publication Date February 17, 2025.
We are pleased to announce the publication defining the machine learning model termed “Corrected MMFF” in the current Spartan’24 release, available from the:
Journal of Computational Chemistry, 2025, 46(1), e70016. Publication Date: January 5, 2025.