| dc.contributor.author | Öğretir, Cemil | |
| dc.contributor.author | Yarlıgan, S | |
| dc.contributor.author | Berber, Halil | |
| dc.contributor.author | Arslan, T | |
| dc.contributor.author | Topal, S | |
| dc.date.accessioned | 2019-10-20T09:30:52Z | |
| dc.date.available | 2019-10-20T09:30:52Z | |
| dc.date.issued | 2003 | |
| dc.identifier.issn | 0948-5023 | |
| dc.identifier.uri | https://dx.doi.org/10.1007/s00894-003-0150-0 | |
| dc.identifier.uri | https://hdl.handle.net/11421/17496 | |
| dc.description | WOS: 000187132000005 | en_US |
| dc.description | PubMed ID: 12938020 | en_US |
| dc.description.abstract | The geometries, relative stabilities of some 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives were calculated with full geometry optimization using AM1 and PM3 in aqueous phase. With the exception of molecules 4, 6 and 7 for all the 4(7) and 5(6) substituted 2-hydroxybenzimidazole derivatives the 3H and keto forms were found to be favored. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Springer-Verlag | en_US |
| dc.relation.isversionof | 10.1007/s00894-003-0150-0 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Substituted Benzimidazoles | en_US |
| dc.subject | Aqueous Phase | en_US |
| dc.subject | Semi-Empirical Calculations | en_US |
| dc.subject | Annular Tautomerism | en_US |
| dc.subject | Chain Tautomerism | en_US |
| dc.title | A theoretical study of substituent effects on tautomerism of 2-hydroxybenzimidazoles | en_US |
| dc.type | article | en_US |
| dc.relation.journal | Journal of Molecular Modeling | en_US |
| dc.contributor.department | Anadolu Üniversitesi, Fen Fakültesi, Fizik Bölümü | en_US |
| dc.identifier.volume | 9 | en_US |
| dc.identifier.issue | 6 | en_US |
| dc.identifier.startpage | 390 | en_US |
| dc.identifier.endpage | 394 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
| dc.contributor.institutionauthor | Berber, Halil | |
