Structure and Bonding

Applications of Density Functional Theory to Chemical Reactivity

Editors: Putz, Mihai V., Mingos, D. Michael P. (Eds.)

  • This series presents critical reviews of the present position and future trends in modern chemical research concerned with chemical structure and bonding
  • Short and concise reports, each written by the world's renowned experts
  • Still valid and useful after 5 or 10 years
  • More information as well as the electronic version of the whole content available at: springerlink.com
see more benefits

Buy this book

eBook $229.00
price for USA (gross)
  • ISBN 978-3-642-32753-7
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $299.99
price for USA
  • ISBN 978-3-642-32752-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $249.99
price for USA
  • ISBN 978-3-642-44176-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant.
The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors.
Readership: research scientists at universities or in industry, graduate students
Special offer
For all customers who have a standing order to the print version of Structure and Bonding, we offer free access to the electronic volumes of the Series published in the current year via SpringerLink.

Table of contents (5 chapters)

  • Density Functional Theory of Bose–Einstein Condensation: Road to Chemical Bonding Quantum Condensate

    Putz, Mihai V.

    Pages 1-49

  • Information Theory Insights into Molecular Electronic Structure and Reactivity

    Nalewajski, Roman F.

    Pages 51-93

  • Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives

    Maroulis, George

    Pages 95-129

  • Descriptors as Probes for Inter-Molecular Interactions and External Perturbation

    Pal, Sourav

    Pages 131-158

  • Application of Reactivity Indices Within Density Functional Theory to Rationale Chemical Interactions

    Chatterjee, Abhijit

    Pages 159-186

Buy this book

eBook $229.00
price for USA (gross)
  • ISBN 978-3-642-32753-7
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $299.99
price for USA
  • ISBN 978-3-642-32752-0
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $249.99
price for USA
  • ISBN 978-3-642-44176-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Loading...

Recommended for you

Loading...

Bibliographic Information

Bibliographic Information
Book Title
Applications of Density Functional Theory to Chemical Reactivity
Editors
  • Mihai V. Putz
  • D. Michael P. Mingos
Series Title
Structure and Bonding
Series Volume
149
Copyright
2012
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-32753-7
DOI
10.1007/978-3-642-32753-7
Hardcover ISBN
978-3-642-32752-0
Softcover ISBN
978-3-642-44176-9
Series ISSN
0081-5993
Edition Number
1
Number of Pages
IX, 189
Topics