Reference Label Details
Karton 2009bA. Karton, D. Gruzman, and J. M. L. Martin, J. Phys. Chem. A 113, 8434-8447 (2009)
Benchmark Thermochemistry of the CnH2n+2 Alkane Isomers (n=2-8) and Performance of DFT and Composite Ab Initio Methods for Dispersion-Driven Isomeric Equilibria
Karton 2011A. Karton, S. Daon, J. M. L. Martin, Chem. Phys. Lett. 510, 165-178 (2011)
W4-11: A High-Confidence Benchmark Dataset for Computational Thermochemistry Derived from First-Principles W4 Data