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

Publication year:

2002

NOC authors:

Type:

Article

Journal:

The Journal of Physical Chemistry A