Quantum chemistry, band structures and polymers

    Research output: Contribution in Book/Catalog/Report/Conference proceedingConference contribution

    Abstract

    A short review of the long way from the first calculations on polyenes after the second world war to the recent electronic devices like Organic Light Emitting Diodes or Photovoltaic Cells is given. It shows how quantum chemical methods on one side and synthesis or experiments have (or should have) interacted as incentives to new methods and technologies.

    Original languageEnglish
    Title of host publicationTheory and Applications in Computational Chemistry
    Subtitle of host publicationThe First Decade of the Second Millennium, International Congress TACC-2012
    PublisherAmerican institute of physics
    Pages109-113
    Number of pages5
    Volume1456
    ISBN (Electronic)9780735410572
    DOIs
    Publication statusPublished - 1 Jan 2012
    EventInternational Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012 - Pavia, Italy
    Duration: 2 Sep 20127 Sep 2012

    Conference

    ConferenceInternational Congress in Theory and Applications in Computational Chemistry: The First Decade of the Second Millennium, TACC 2012
    CountryItaly
    CityPavia
    Period2/09/127/09/12

    Keywords

    • Ab initio calculations
    • Band Structure
    • Electrical conductivity of polymers
    • Electronic structure of condensed matter

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