Category:
Organic Chemistry
,
Working Paper
, Title:
BH9, a New Comprehensive Benchmark Dataset for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials
, Authors:
Viki Kumar Prasad, Zhipeng Pei, Simon Edelmann, Alberto Otero-de-la-Roza, Gino DiLabio
Version 1 posted 14 July 2021
416
Downloads