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Molecular structure of phenyl- and phenoxyacetic acids – spectroscopic and theoretical study.

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Title: Molecular structure of phenyl- and phenoxyacetic acids – spectroscopic and theoretical study.
Authors: Samsonowicz, M.1 m.samsonowicz@pb.edu.pl
Source: Spectrochimica Acta Part A: Molecular & Biomolecular Spectroscopy. Jan2014, Vol. 118, p1086-1097. 12p.
Subjects: Molecular structure, Phenoxyacetic acid, Molecular spectroscopy, Benzoic acid, Atomic charges, Natural orbitals
Abstract: Highlights: [•] The spectroscopic and theoretical data was studied in comparison to benzoic acid. [•] Comparative analysis of spectroscopic data of the title compounds was performed. [•] Optimized geometrical structures of studied compounds, atomic charges on the atoms were compared. [•] NBO analysis and HOMO and LUMO energies are predicted. [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
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Header DbId: egs
DbLabel: Engineering Source
An: 91868566
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Molecular structure of phenyl- and phenoxyacetic acids – spectroscopic and theoretical study.
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  Data: <searchLink fieldCode="AR" term="%22Samsonowicz%2C+M%2E%22">Samsonowicz, M.</searchLink><relatesTo>1</relatesTo><i> m.samsonowicz@pb.edu.pl</i>
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  Data: <searchLink fieldCode="DE" term="%22Molecular+structure%22">Molecular structure</searchLink><br /><searchLink fieldCode="DE" term="%22Phenoxyacetic+acid%22">Phenoxyacetic acid</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+spectroscopy%22">Molecular spectroscopy</searchLink><br /><searchLink fieldCode="DE" term="%22Benzoic+acid%22">Benzoic acid</searchLink><br /><searchLink fieldCode="DE" term="%22Atomic+charges%22">Atomic charges</searchLink><br /><searchLink fieldCode="DE" term="%22Natural+orbitals%22">Natural orbitals</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: Highlights: [•] The spectroscopic and theoretical data was studied in comparison to benzoic acid. [•] Comparative analysis of spectroscopic data of the title compounds was performed. [•] Optimized geometrical structures of studied compounds, atomic charges on the atoms were compared. [•] NBO analysis and HOMO and LUMO energies are predicted. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>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.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.saa.2013.09.127
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      – Code: eng
        Text: English
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        PageCount: 12
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    Subjects:
      – SubjectFull: Molecular structure
        Type: general
      – SubjectFull: Phenoxyacetic acid
        Type: general
      – SubjectFull: Molecular spectroscopy
        Type: general
      – SubjectFull: Benzoic acid
        Type: general
      – SubjectFull: Atomic charges
        Type: general
      – SubjectFull: Natural orbitals
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      – TitleFull: Molecular structure of phenyl- and phenoxyacetic acids – spectroscopic and theoretical study.
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              Text: Jan2014
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