Yayın:
Molecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores

Sadeleştirilmiş öğe sayfası
dc.contributor.authorKani, İbrahim
dc.contributor.authorMehmet Gümüş
dc.contributor.authorHalil Gökçe
dc.contributor.authorİbrahim Kani
dc.contributor.authorİrfan Koca
dc.contributor.orcid0000-0001-8836-8667
dc.contributor.orcid0000-0001-9262-7940
dc.contributor.orcid0000-0003-2258-859X
dc.contributor.orcid0000-0002-7654-6013
dc.contributor.orcid0000-0001-7873-159X
dc.date.accessioned2025-11-13T09:05:51Z
dc.date.issued2018-06-21
dc.identifier.doihttps://doi.org/10.1016/j.molstruc.2018.06.069
dc.identifier.endpage866
dc.identifier.issn0022-2860
dc.identifier.openalexW2808830698
dc.identifier.startpage850
dc.identifier.urihttps://hdl.handle.net/11421/440
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2018.06.069
dc.identifier.volume1171
dc.language.isoen
dc.relation.ispartofJournal of Molecular Structure
dc.rightsrestrictedAccess
dc.subjectChemistry
dc.subjectPyrazole
dc.subjectHOMO/LUMO
dc.subjectMolecular geometry
dc.subjectIntermolecular force
dc.subjectCrystallography
dc.subjectComputational chemistry
dc.subjectNatural bond orbital
dc.subjectMolecule
dc.subjectPhysical chemistry
dc.subjectStereochemistry
dc.subjectDensity functional theory
dc.subjectOrganic chemistry
dc.subject.sdg7
dc.titleMolecular docking, Hirshfeld surface, structural, spectroscopic, electronic, NLO and thermodynamic analyses on novel hybrid compounds containing pyrazole and coumarin cores
dc.typeArticle
dspace.entity.typePublication
local.authorid.openalexA5021104813

Dosyalar

Koleksiyonlar

Publications