Effect of the Reference Geometry and the Exchange Correlation Functional on the Vibrational Frequencies Calculated by Density Functional Methods. The Examples of Benzene and Nickel, Chromium, and Iron Carbonyls
- 1 July 1995
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 99 (29), 11417-11423
- https://doi.org/10.1021/j100029a019