Reference Label | Details |
---|---|
Ruscic W1RO | W1RO calculation |
Karton 2009b | A. 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 |