| dc.contributor.author | Nihat Karakuş | |
| dc.contributor.author | Hülya Yekeler | |
| dc.date.accessioned | 23.07.201910:49:13 | |
| dc.date.accessioned | 2019-07-23T16:20:32Z | |
| dc.date.available | 23.07.201910:49:13 | |
| dc.date.available | 2019-07-23T16:20:32Z | |
| dc.date.issued | 1999 | |
| dc.identifier.issn | 1300-1949 | |
| dc.identifier.uri | http://www.trdizin.gov.tr/publication/paper/detail/TXpRMU1UUTA= | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12418/1255 | |
| dc.description.abstract | The E/Z İsomerization of some simple enamines (H2NCH=CHR, R=NO2, CHO, CN, COCH3, COOH) has been investigated by means of quantum-chemical calculations at the HF level using 6-31G* and 6-31+G** basis sets. The single- point MP2 calculations for electron correlation were accomplished for all configurations on the HF/6-31+G** optimized geometries. The results show the Z isomer to be the most stable and intramolecular hydrogen-bonds contribute to the stability. | en_US |
| dc.description.abstract | The E/Z İsomerization of some simple enamines (H2NCH=CHR, R=NO2, CHO, CN, COCH3, COOH) has been investigated by means of quantum-chemical calculations at the HF level using 6-31G* and 6-31+G** basis sets. The single- point MP2 calculations for electron correlation were accomplished for all configurations on the HF/6-31+G** optimized geometries. The results show the Z isomer to be the most stable and intramolecular hydrogen-bonds contribute to the stability. | en_US |
| dc.language.iso | eng | en_US |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Mühendislik | en_US |
| dc.subject | Ortak Disiplinler | en_US |
| dc.title | Theoretical investigation of the E/Z isomerization and molecular geometries of enamines | en_US |
| dc.type | other | en_US |
| dc.relation.journal | Cumhuriyet Üniversitesi Fen-Edebiyat Fakültesi Fen Bilimleri Dergisi | en_US |
| dc.contributor.department | Sivas Cumhuriyet Üniversitesi | en_US |
| dc.identifier.volume | 21 | en_US |
| dc.identifier.issue | 1 | en_US |
| dc.identifier.endpage | 145 | en_US |
| dc.identifier.startpage | 137 | en_US |
| dc.relation.publicationcategory | Diğer | en_US] |
