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Computational Chemistry: Reviews Of Current Trends

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Title: Computational Chemistry: Reviews Of Current Trends
Description: There have been important developments in the last decade: computers are faster and more powerful, code features are enhanced and more efficient, and larger molecules can be studied — not only in vacuum but also in a solvent or in crystal. Researchers are using new techniques to study larger systems and obtain more accurate results. This is impetus for the development of more efficient methods based on the first-principle multi-level simulations appropriate for complex species.Among the cutting-edge methods and studies reviewed in this decennial volume of the series are the Density Functional Theory (DFT) method, vibrational electron energy loss spectroscopy (EELS), computational models of the reaction rate theory, the nuclear magnetic resonance triplet wavefunction model (NMRTWM) and biological reactions that benefit from computational studies.
Authors: Jerzy Leszczynski
Resource Type: eBook.
Subjects: Chemistry--Mathematics, Chemistry--Data processing, Cheminformatics
Categories: SCIENCE / Chemistry / Physical & Theoretical, SCIENCE / Chemistry / General
Database: eBook Collection (EBSCOhost)
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  – Type: ebook-pdf
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  Availability: 0
Header DbId: nlebk
DbLabel: eBook Collection (EBSCOhost)
An: 210565
RelevancyScore: 1005
AccessLevel: 6
PubType: eBook
PubTypeId: ebook
PreciseRelevancyScore: 1004.98577880859
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  Data: Computational Chemistry: Reviews Of Current Trends
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  Data: There have been important developments in the last decade: computers are faster and more powerful, code features are enhanced and more efficient, and larger molecules can be studied — not only in vacuum but also in a solvent or in crystal. Researchers are using new techniques to study larger systems and obtain more accurate results. This is impetus for the development of more efficient methods based on the first-principle multi-level simulations appropriate for complex species.Among the cutting-edge methods and studies reviewed in this decennial volume of the series are the Density Functional Theory (DFT) method, vibrational electron energy loss spectroscopy (EELS), computational models of the reaction rate theory, the nuclear magnetic resonance triplet wavefunction model (NMRTWM) and biological reactions that benefit from computational studies.
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  Data: <searchLink fieldCode="AR" term="%22Jerzy+Leszczynski%22">Jerzy Leszczynski</searchLink>
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RecordInfo BibRecord:
  BibEntity:
    Classifications:
      – Code: 540.151
        Scheme: ddc
        Type: prePub
    Languages:
      – Code: eng
        Text: English
    Subjects:
      – SubjectFull: Chemistry--Mathematics
        Type: general
      – SubjectFull: Chemistry--Data processing
        Type: general
      – SubjectFull: Cheminformatics
        Type: general
    Titles:
      – TitleFull: Computational Chemistry: Reviews Of Current Trends
        Type: main
  BibRelationships:
    HasContributorRelationships:
      – PersonEntity:
          Name:
            NameFull: Jerzy Leszczynski
      – PersonEntity:
          Name:
            NameFull: Jerzy Leszczynski
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          Dates:
            – D: 01
              M: 01
              Type: published
              Y: 2006
            – D: 04
              M: 02
              Type: profile
              Y: 2014
          Identifiers:
            – Type: isbn-print
              Value: 9789812567420
            – Type: isbn-electronic
              Value: 9789812773876
          Numbering:
            – Type: volume
              Value: 00010
          Titles:
            – TitleFull: Computational Chemistry: Reviews Of Current Trends
              Type: main
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