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Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

Journal Article

Smith, D. G. A.; Lolinco, A. T.; Glick, Z. L.; Lee, J.; Alenaizan, A.; Barnes, T. A.; Borca, C. H.; Di Remigio, R.; Dotson, D. L.; Ehlert, S.; more...
Journal of Chemical Physics (2021)

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