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Structural Analysis Using Computational Chemistry

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Title: Structural Analysis Using Computational Chemistry
Description: Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: • Quantum mechanics and structural molecular study (AM1)• Application of quantum models in molecular analysis• Molecular analysis of insulin through controlled adsorption in hydrogels based on chitosan• Analysis and molecular characterization of organic materials for application in solar cells• Determination of thermodynamic properties of ionic liquids through molecular simulation
Authors: Norma-Aurea Rangel-Vázquez
Resource Type: eBook.
Subjects: Analytical chemistry, Molecular structure--Mathematical models, Quantum chemistry, Polymers--Analysis--Mathematical models
Categories: SCIENCE / Energy
Database: eBook Collection (EBSCOhost)
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  – Type: ebook-pdf
  – Type: ebook-epub
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  Availability: 0
Header DbId: nlebk
DbLabel: eBook Collection (EBSCOhost)
An: 1800550
RelevancyScore: 1070
AccessLevel: 6
PubType: eBook
PubTypeId: ebook
PreciseRelevancyScore: 1070.4580078125
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  Label: Title
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  Data: Structural Analysis Using Computational Chemistry
– Name: Abstract
  Label: Description
  Group: Ab
  Data: Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: • Quantum mechanics and structural molecular study (AM1)• Application of quantum models in molecular analysis• Molecular analysis of insulin through controlled adsorption in hydrogels based on chitosan• Analysis and molecular characterization of organic materials for application in solar cells• Determination of thermodynamic properties of ionic liquids through molecular simulation
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  Data: <searchLink fieldCode="AR" term="%22Norma-Aurea+Rangel-Vázquez%22">Norma-Aurea Rangel-Vázquez</searchLink>
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  Data: eBook.
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  Data: <searchLink fieldCode="DE" term="%22Analytical+chemistry%22">Analytical chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+structure--Mathematical+models%22">Molecular structure--Mathematical models</searchLink><br /><searchLink fieldCode="DE" term="%22Quantum+chemistry%22">Quantum chemistry</searchLink><br /><searchLink fieldCode="DE" term="%22Polymers--Analysis--Mathematical+models%22">Polymers--Analysis--Mathematical models</searchLink>
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RecordInfo BibRecord:
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    Classifications:
      – Code: 543
        Scheme: ddc
        Type: prePub
    Languages:
      – Code: eng
        Text: English
    Subjects:
      – SubjectFull: Analytical chemistry
        Type: general
      – SubjectFull: Molecular structure--Mathematical models
        Type: general
      – SubjectFull: Quantum chemistry
        Type: general
      – SubjectFull: Polymers--Analysis--Mathematical models
        Type: general
    Titles:
      – TitleFull: Structural Analysis Using Computational Chemistry
        Type: main
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      – PersonEntity:
          Name:
            NameFull: Norma-Aurea Rangel-Vázquez
      – PersonEntity:
          Name:
            NameFull: Norma-Aurea Rangel-Vázquez
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          Dates:
            – D: 01
              M: 01
              Type: published
              Y: 2016
            – D: 25
              M: 08
              Type: profile
              Y: 2021
          Identifiers:
            – Type: isbn-print
              Value: 9788793379954
            – Type: isbn-print
              Value: 9788770044561
            – Type: isbn-electronic
              Value: 9788793379961
            – Type: isbn-electronic
              Value: 9781000792065
            – Type: isbn-electronic
              Value: 9781000795288
            – Type: isbn-electronic
              Value: 9781003339632
          Titles:
            – TitleFull: Structural Analysis Using Computational Chemistry
              Type: main
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