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    Role of quantum chemical calculations in molecular biophysics with a historical perspective

    132616_12733_Role of quantum chemical calculations in molecular biophysics.pdf (581.4Kb)
    Access Status
    Open access
    Authors
    Kukushkin, A.
    Jalkanen, Karl
    Date
    2009
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Kukushkin, Alexander and Jalkanen, Karl. 2009. Role of quantum chemical calculations in molecular biophysics with a historical perspective. Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 125 (3-6): pp. 121-144.
    Source Title
    Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
    DOI
    10.1007/s00214-009-0622-0
    ISSN
    14322234
    Faculty
    Nanochemistry Research Institute (NRI)
    Faculty of Science and Engineering
    School
    Nanochemistry Research Institute (Research Institute)
    Remarks

    The original publication is available at : www.springerlink.com

    URI
    http://hdl.handle.net/20.500.11937/21864
    Collection
    • Curtin Research Publications
    Abstract

    We discuss how the basic principles of quantum chemistry and quantum mechanics can be and have been applied to a variety of problems in molecular biophysics. First, the historical development of quantum concepts in biophysics is discussed. Next, we describe a series of interesting applications of quantum chemical methods for studying biologically active molecules, molecular structures, and some of the important processes which play a role in living organisms. We discuss the application of quantum chemistry to such processes as energy storage and transformation, and the transmission of genetic information. Quantum chemical approaches are essential to comprehend and understand the molecular nature of these processes. To conclude our work, we present a short discussion of the perspectives of quantum chemical methods in modern biophysics, the field of experimental and theoretical chiral vibrational and electronic spectroscopy.

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