Spectroscopic and density functional theory studies of 5,7,3′,5′-tetrahydroxyflavanone from the leaves of Olea ferruginea.
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| Title: | Spectroscopic and density functional theory studies of 5,7,3′,5′-tetrahydroxyflavanone from the leaves of Olea ferruginea. |
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| Authors: | Hashmi, Muhammad Ali1, Khan, Afsar1 afsarkhan@ciit.net.pk, Ayub, Khurshid1,2, Farooq, Umar1 |
| Source: | Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Jul2014, Vol. 128, p225-230. 6p. |
| Subjects: | Density functional theory, Flavanones, Olive, Frontier orbitals, Nuclear magnetic resonance spectroscopy, Infrared radiation, Hydrogen bonding |
| Abstract: | Highlights: [•] Spectroscopic and DFT study of 5,7,3′,5′-tetrahydroxyflavanone. [•] Experimental and theoretical IR, UV–Vis, and NMR studies. [•] IP, EA, HOMO, LUMO, and EN simualations at DFT-B3LYP/6-311 G (d, p). [•] Use of water molecule as model for hydrogen bonding interactions. [Copyright &y& Elsevier] |
| Copyright of Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 95631555 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| PLink | https://search.ebscohost.com/login.aspx?direct=true&site=eds-live&db=egs&AN=95631555 |
| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.1016/j.saa.2014.02.163 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 6 StartPage: 225 Subjects: – SubjectFull: Density functional theory Type: general – SubjectFull: Flavanones Type: general – SubjectFull: Olive Type: general – SubjectFull: Frontier orbitals Type: general – SubjectFull: Nuclear magnetic resonance spectroscopy Type: general – SubjectFull: Infrared radiation Type: general – SubjectFull: Hydrogen bonding Type: general Titles: – TitleFull: Spectroscopic and density functional theory studies of 5,7,3′,5′-tetrahydroxyflavanone from the leaves of Olea ferruginea. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Hashmi, Muhammad Ali – PersonEntity: Name: NameFull: Khan, Afsar – PersonEntity: Name: NameFull: Ayub, Khurshid – PersonEntity: Name: NameFull: Farooq, Umar IsPartOfRelationships: – BibEntity: Dates: – D: 15 M: 07 Text: Jul2014 Type: published Y: 2014 Identifiers: – Type: issn-print Value: 13861425 Numbering: – Type: volume Value: 128 Titles: – TitleFull: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy Type: main |
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