Structure and Function

Editors: Comba, Peter (Ed.)

  • Provides an overview of modern experimental and theoretical methods used to predict novel compounds
  • Presents applications beneficial in biochemistry and material sciences fields
  • Includes studies on the theory of structure optimization
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eBook $149.00
price for USA (gross)
valid through November 5, 2017
  • ISBN 978-90-481-2888-4
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  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $199.00
price for USA
valid through November 5, 2017
  • ISBN 978-90-481-2887-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $199.00
price for USA
valid through November 5, 2017
  • ISBN 978-94-007-9149-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

The art of chemistry is to thoroughly understand the properties of molecular compounds and materials and to be able to prepare novel compounds with p- dicted and desirable properties. The basis for progress is to fully appreciate and fundamentally understand the intimate relation between structure and function. The thermodynamic properties (stability, selectivity, redox potential), reactivities (bond breaking and formation, catalysis, electron transfer) and electronic properties (spectroscopy, magnetism) depend on the structure of a compound. Nevertheless, the discovery of novel molecular compounds and materials with exciting prop- ties is often and to a large extent based on serendipity. For compounds with novel and exciting properties, a thorough analysis of experimental data – state-of-the-art spectroscopy, magnetism, thermodynamic properties and/or detailed mechanistic information – combined with sophisticated electronic structure calculations is p- formed to interpret the results and fully understand the structure, properties and their interrelation. From these analyses, new models and theories may emerge, and this has led to the development of ef cient models for the design and interpre- tion of new materials and important new experiments. The chapters in this book therefore describe various fundamental aspects of structures, dynamics and physics of molecules and materials. The approaches, data and models discussed include new theoretical developments, computational studies and experimental work from molecular chemistry to biology and materials science.

Table of contents (10 chapters)

  • Molecular Associations Determined from Free Energy Calculations

    Naidoo, Kevin J.

    Pages 1-20

  • Molecular Modelling for Systems Containing Transition Metal Centres

    Deeth, Robert J.

    Pages 21-51

  • Magnetic Anisotropy in Cyanide Complexes of First Row Transition Metal Ions

    Atanasov, Mihail (et al.)

    Pages 53-85

  • Structure and Function: Insights into Bioinorganic Systems from Molecular Mechanics Calculations

    Marques, Helder M. (et al.)

    Pages 87-109

  • Artificial Photosynthetic Reaction Center

    Fukuzumi, Shunichi

    Pages 111-132

Buy this book

eBook $149.00
price for USA (gross)
valid through November 5, 2017
  • ISBN 978-90-481-2888-4
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $199.00
price for USA
valid through November 5, 2017
  • ISBN 978-90-481-2887-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $199.00
price for USA
valid through November 5, 2017
  • ISBN 978-94-007-9149-7
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Structure and Function
Editors
  • Peter Comba
Copyright
2010
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-90-481-2888-4
DOI
10.1007/978-90-481-2888-4
Hardcover ISBN
978-90-481-2887-7
Softcover ISBN
978-94-007-9149-7
Edition Number
1
Number of Pages
XVI, 260
Topics