dc.contributor.author | Sidir, I. | |
dc.contributor.author | Sidir, Y.G. | |
dc.contributor.author | Kayagil, I. | |
dc.date.accessioned | 2021-12-16T10:13:10Z | |
dc.date.available | 2021-12-16T10:13:10Z | |
dc.date.issued | 2011 | |
dc.identifier.issn | 13861425 | |
dc.identifier.uri | https://doi.org/10.1016/j.saa.2011.06.021 | |
dc.identifier.uri | http://dspace.beu.edu.tr:8080/xmlui/handle/20.500.12643/13443 | |
dc.description.abstract | The conformational analysis of 6,8-diphenylimidazo[1,2-α]pyrazine molecule (abbreviated as 68DIP) was performed by using B3LYP/6-31G(d) level of theory to find the most stable form. Two staggered stable conformers were observed on the torsional potential | |
dc.language.iso | English | |
dc.source | Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy | |
dc.title | Conformational stability, the spectroscopic (FT-IR and UV), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 6,8-diphenylimidazo[1,2-α]pyrazine molecule by ab initio HF and density functional methods | |
dc.type | Article | |
dc.identifier.issue | 1 | |
dc.identifier.startpage | 339 | |
dc.identifier.endpage | 352 | |
dc.identifier.doi | 10.1016/j.saa.2011.06.021 | |
dc.identifier.scopus | 2-s2.0-80052924133 | |
dc.identifier.volume | 81 | |