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dc.contributor.authorAşkın, Gülçin Şefiye
dc.contributor.authorTercan, Barış
dc.contributor.authorŞahin, Ertan
dc.contributor.authorNecefoğlu, Hacali
dc.contributor.authorHökelek, Tuncer
dc.date.accessioned2019-12-13T06:31:08Z
dc.date.available2019-12-13T06:31:08Z
dc.date.issued2008
dc.identifier.issn0022-2860
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2007.11.010
dc.identifier.urihttp://hdl.handle.net/11655/18351
dc.description.abstractThe vibrational properties of cyclohexene-2-ethanamine molecule are studied by both theoretically and experimentally. The theoretical calculations are performed using density functional perturbation theory (DFPT) based on plane wave pseudopotential method while the experimental technique is infrared (IR) spectroscopy. We also present the results of theoretical calculation of STM images for electron density of the cyclohexene-2-ethanamine. Our results also show that DFPT can be applied to the molecular systems in GGA approximation by comparing experimental and other commercial theoretical methods. (C) 2007 Elsevier B.V. All rights reserved.
dc.language.isoen
dc.publisherElsevier Science Bv
dc.relation.isversionof10.1016/j.molstruc.2007.11.010
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectChemistry
dc.titleInfrared Spectrum And Stm Images Of Cyclohexene-2-Ethanamine: First Principle Investigation
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion
dc.relation.journalJournal Of Molecular Structure
dc.contributor.departmentFizik Mühendisliği
dc.identifier.volume886
dc.identifier.issue3-Jan
dc.identifier.startpage144
dc.identifier.endpage147
dc.description.indexWoS


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