COMFORMATIONAL ANALYSIS AND ELECTRONIC PROPERTIES OF FLUOROMETHYLFURAN OLIGOMERS: SEMIEMPIRICAL AND DFT STUDY
Structural and electronic properties of oligomers of fluoromethylfurans (FMFs), OC4H4-CHnF3-n with n = 1, 2, 3 and 4 have been studied using ZINDO/AM1 and B3LYP/6-31G(d) basis set. Preliminary study using AM1 and ab initio (HF) 6-31G(d) with medium basis set was carried out on di-, tri- and tetramer...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Universidade Estadual Paulista
2018-04-01
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| Series: | Eclética Química |
| Online Access: | https://revista.iq.unesp.br/ojs/index.php/ecletica/article/view/149 |