| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374081 | Chemical Physics | 2013 | 6 Pages |
Abstract
⺠We checked out various DFT approaches in the phenylacetylene dimer examination. ⺠The B97D, ÏB97X-D, and M06-2X structures have the largest binding energies. ⺠The B3LYP is not an appropriate tool to investigate the phenylacetylene dimer.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
G. Naresh Patwari, P. Venuvanalingam, Maciej KoÅaski,