Wiley Interdisciplinary Reviews Computational Molecular Science· 2013Q1
The <scp>D</scp>alton quantum chemistry program system
- 1,500citations
- Q1SCImago
- 2013year
Short summary
The Dalton program system offers a comprehensive suite of electronic structure calculation methods (Hartree-Fock to coupled-cluster) for a wide range of molecular properties, including gradients, Hessians, magnetic resonance, optical activity, and frequency-dependent properties.
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Physical and Theoretical ChemistryChemistry