| dc.contributor.author | Kara, Hülya | |
| dc.contributor.author | Yahşi, Yasemin | |
| dc.contributor.author | Elerman, Yalçın | |
| dc.contributor.author | Elmalı, Ayhan | |
| dc.date.accessioned | 2019-10-17T07:53:00Z | |
| dc.date.available | 2019-10-17T07:53:00Z | |
| dc.date.issued | 2004 | en_US |
| dc.identifier.issn | 0932-0784 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12462/7752 | |
| dc.identifier.uri | https://doi.org/10.1515/zna-2004-1121 | en_US |
| dc.description | Kara, Hülya (Balikesir Author) | en_US |
| dc.description.abstract | Semi-empirical AM1 SCF-MO calculations have been used to find the structure optimization and conformational interconversion pathways of a system containing a six-membered ring. The system has the two symmetrical energy-minimum conformations, chair and twist. The chair conformation has the most stable geometry. Some quantum parameters such as HOMO and LUMO energy, the chemical hardness and chemical potential are discussed. | en_US |
| dc.language.iso | eng | en_US |
| dc.publisher | Verlag Z Naturforsch | en_US |
| dc.relation.isversionof | 10.1515/zna-2004-1121 | en_US |
| dc.rights | info:eu-repo/semantics/openAccess | en_US |
| dc.subject | Six-Membered Rings | en_US |
| dc.subject | Conformational Analysis | en_US |
| dc.subject | AM1 Calculations | en_US |
| dc.subject | Quantum Chemical Study | en_US |
| dc.title | Semi empirical study of a system containing a six-membered ring | en_US |
| dc.type | article | en_US |
| dc.relation.journal | Zeitschrift Fur Naturforschung Section A-A Journal of Physical Sciences | en_US |
| dc.contributor.department | Fen Edebiyat Fakültesi | en_US |
| dc.contributor.authorID | 0000-0002-2032-8930 | en_US |
| dc.identifier.volume | 59 | en_US |
| dc.identifier.issue | 11 | en_US |
| dc.identifier.startpage | 853 | en_US |
| dc.identifier.endpage | 856 | en_US |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
