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Computational Chemistry: Reviews Of Current Trends

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Title: Computational Chemistry: Reviews Of Current Trends
Description: Volume 3 of Computational Chemistry: Reviews of Current Trends adds well to the first two volumes of the series, presenting results of current developments in the methodologies and the applications of computational chemistry methods. The topics covered include fundamentals and applications of multireference Brillouin-Wigner coupled-cluster theory, as well as recent developments in quantum-chemical modeling of the interaction of solute and solvent.The book also features a review of recent developments and applications of the model-core-potential method. The application of computational methods to gas-phase chemical reactions is discussed. In particular, stratospheric bromine chemistry and its relationship to depletion of stratospheric ozone is examined by theoretical methods. Also, fundamental phenomena of bonding in gas-phase radical-sulfur compounds are presented.Finally, the book gives a review of a hot area — chemistry on the Internet. In addition to a survey of relevant chemistry Internet resources, an overview of the current state of Internet application is provided.
Authors: Kenneth Flurchick, Leonid Gorb, Sujata Guha, Ivan Hubac, Mariusz Klobukowski, Jerzy Leszczynski, David C Young
Resource Type: eBook.
Subjects: Chemistry--Computer simulation, Chemistry--Data processing, Chemistry--Mathematics, Cheminformatics
Categories: SCIENCE / Chemistry / General, SCIENCE / Chemistry / Physical & Theoretical
Database: eBook Collection (EBSCOhost)
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DbLabel: eBook Collection (EBSCOhost)
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RelevancyScore: 959
AccessLevel: 6
PubType: eBook
PubTypeId: ebook
PreciseRelevancyScore: 959.155151367188
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  Data: Computational Chemistry: Reviews Of Current Trends
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  Data: Volume 3 of Computational Chemistry: Reviews of Current Trends adds well to the first two volumes of the series, presenting results of current developments in the methodologies and the applications of computational chemistry methods. The topics covered include fundamentals and applications of multireference Brillouin-Wigner coupled-cluster theory, as well as recent developments in quantum-chemical modeling of the interaction of solute and solvent.The book also features a review of recent developments and applications of the model-core-potential method. The application of computational methods to gas-phase chemical reactions is discussed. In particular, stratospheric bromine chemistry and its relationship to depletion of stratospheric ozone is examined by theoretical methods. Also, fundamental phenomena of bonding in gas-phase radical-sulfur compounds are presented.Finally, the book gives a review of a hot area — chemistry on the Internet. In addition to a survey of relevant chemistry Internet resources, an overview of the current state of Internet application is provided.
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      – Code: 542.85
        Scheme: ddc
        Type: prePub
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      – Code: eng
        Text: English
    Subjects:
      – SubjectFull: Chemistry--Computer simulation
        Type: general
      – SubjectFull: Chemistry--Data processing
        Type: general
      – SubjectFull: Chemistry--Mathematics
        Type: general
      – SubjectFull: Cheminformatics
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      – TitleFull: Computational Chemistry: Reviews Of Current Trends
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            – D: 01
              M: 01
              Type: published
              Y: 1999
            – D: 04
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              Value: 9789810237523
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            – TitleFull: Computational Chemistry: Reviews Of Current Trends
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