Abstract
A CNDO/2 parameterization for performing semiempirical molecular orbital calculations for organic molecules containing bromine and iodine is presented; the results are superior to those from other parameterizations, and generally agree with ab initio calculations and experiment.
| Original language | English |
|---|---|
| Pages (from-to) | 233-237 |
| Number of pages | 5 |
| Journal | Australian Journal of Chemistry |
| Volume | 39 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1986 |
| Externally published | Yes |