PENGGUNAAN FRONTIER ORBITAL MOLEKUL SEBAGAI DESKRIPTOR PADA ANALISIS HUBUNGAN KUANTITATIF STRUKTUR AKTIVITAS (HKSA) TOKSIK SENYAWA KHLOROFENOL
Quantitative structure-activity relationship (QSAR) methods have been applied to prediction of the toxicity of certain chemical compound. In this research a QSAR descriptor used frontier molecular orbital (LUMO energy (EL), HOMO energy (EH), and band gap (ΔE) and its derivatives were obtained from d...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | Indonesian |
| Published: |
Department of Chemistry, Faculty of Mathematics and Natural Sciences, Universitas Andalas
2012-03-01
|
| Series: | Jurnal Riset Kimia |
| Subjects: | |
| Online Access: | http://jrk.fmipa.unand.ac.id/index.php/jrk/article/view/211 |