Dependence of the total p-electron energy on a large number of non-bonding molecular orbitals
Using a recently developed method for computing the effect of non-bonding molecular orbitals (NBMOs) on the total p-electron energy (E), it was found that the dependence of E on the number n0 of NBMOs is almost perfectly linear. We now show that this regularity remains valid for very large values of...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Serbian Chemical Society
2004-10-01
|
| Series: | Journal of the Serbian Chemical Society |
| Subjects: | |
| Online Access: | http://www.shd.org.yu/HtDocs/SHD/Vol69/No10/V69-No10-06.pdf |