A PW91 Density Functional Study of Conformational Choice in 2-Phenylethanol,n-Butylbenzene, and Their Cations: Problems for Density Functional Theory?

Patey, Matthew D.; Dessent, Caroline E. H. 2002 A PW91 Density Functional Study of Conformational Choice in 2-Phenylethanol,n-Butylbenzene, and Their Cations: Problems for Density Functional Theory? The Journal of Physical Chemistry A, 106 (18). 4623-4631. https://doi.org/10.1021/jp012966i