most citedBenefits of Range-separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Dataset of Reaction Energies and Barrier Heights

48 citations · 48 across the 1 of their papers we have counts for

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physics.chem-ph2022★ 48 cited

Benefits of Range-separated Hybrid and Double-Hybrid Functionals for a Large and Diverse Dataset of Reaction Energies and Barrier Heights

Golokesh Santra, Rivka Calinsky, Jan M. L. Martin

To better understand the thermochemical kinetics and mechanism of a specific chemical reaction, an accurate estimation of barrier heights (forward and reverse) and reaction energy…