A review of computational methods for electron affinity in determined molecules
Some density function theories ( DFT/ 6 - 311++ G (3 df, 3 pd ) basis set ) methods with as BPV86, B3PV91, B3LYP, LSDA, MPW1PW91, HCTH, THCTH, PBE1PBE, PBEPBE, and T PSSTPSS with Hartree– Fock (HF) and Ab initio methods. These calculations were at quadratic - complete basis set (CBS- Q met...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
University of Anbar
2022-12-01
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| Series: | مجلة جامعة الانبار للعلوم الصرفة |
| Subjects: | |
| Online Access: | https://juaps.uoanbar.edu.iq/article_176472_6213a8427559569b684dd08fb5ee9663.pdf |