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20222026
most citedAnalytical harmonic vibrational frequencies with VV10-containing density functionals: Theory, efficient implementation, and benchmark assessments

15 citations · 22 across the 11 of their papers we have counts for

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physics.chem-ph2025★ 1 cited

Gold-Standard Chemical Database 137 (GSCDB137): A diverse set of accurate energy differences for assessing and developing density functionals

Jiashu Liang, Martin Head-Gordon

We present GSCDB137, a rigorously curated benchmark library of 137 data sets (8377 entries) covering main-group and transition-metal reaction energies and barrier heights, (intramo…