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Spartan

molecular modeling and computational chemistry application

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About Spartan

Spartan is a molecular modelling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods, ab initio models, density functional models, post-Hartree–Fock models, thermochemical recipes including G3(MP2) and T1, and machine learning models like corrected MMFF and Est. Density Functional. Quantum chemistry calculations in Spartan are powered by Q-Chem.

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Website: http://www.wavefun.com

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