Boston Studies in the Philosophy and History of Science Maksic,Z.B.(Ed):Theoret.Models of Chem.Bonding

Theoretical Treatment of Large Molecules and Their Interactions

Part 4 Theoretical Models of Chemical Bonding

Editors: Maksic, Zvonimir B. (Ed.)

Free Preview

Buy this book

eBook 758,63 €
price for Spain (gross)
  • ISBN 978-3-642-58183-0
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 1.351,99 €
price for Spain (gross)
Softcover 935,99 €
price for Spain (gross)
About this book

The French chemist Marcelin Berthelot put forward a classical and by now an often cited sentence revealing the quintessence of the chemical science: "La Chimie cree son objet". This is certainly true because the largest number of molecular compounds were and are continuously synthesized by chemists themselves. However, modern computational quantum chemistry has reached a state of maturity that one can safely say: "La Chimie Theorique cree son objet" as well. Indeed, modern theoretical chemistry is able today to provide reliable results on elusive systems such as short living species, reactive intermediates and molecules which will perhaps never be synthesized because of one or another type of instability. It is capable of yielding precious information on the nature of the transition states, reaction paths etc. Additionally, computational chemistry gives some details of the electronic and geometric structure of molecules which remain hidden in experimental examinations. Hence, it follows that powerful numerical techniques have substantially enlarged the domain of classical chemistry. On the other hand, interpretive quantum chemistry has provided a conceptual framework which enabled rationalization and understanding of the precise data offered either by experiment or theory. It is modelling which gives a penetrating insight into the chemical phenomena and provides order in raw experimental results which would otherwise represent just a large catalogue of unrelated facts.

Table of contents (11 chapters)

Table of contents (11 chapters)
  • Chemical Fragmentation Approach to the Quantum Chemical Description of Extended Systems

    Pages 1-49

    ángyán, János G. (et al.)

  • Semiclassical Methods for Large Molecules of Biological Importance

    Pages 51-64

    Brooks, Charles L., III

  • Electronic Excited States of Biomolecular Systems: Ab Initio FSGO-based Quantum Mechanical Methods with Applications to Photosynthetic and Related Systems

    Pages 65-102

    Maggiora, Gerald M. (et al.)

  • Classical Electrostatics in Molecular Interactions

    Pages 103-131

    Stone, Anthony J.

  • Weak Interactions Between Molecules and Their Physical Interpretation

    Pages 133-169

    Magnasco, Valerio (et al.)

Buy this book

eBook 758,63 €
price for Spain (gross)
  • ISBN 978-3-642-58183-0
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover 1.351,99 €
price for Spain (gross)
Softcover 935,99 €
price for Spain (gross)
Loading...

Recommended for you

Loading...

Bibliographic Information

Bibliographic Information
Book Title
Theoretical Treatment of Large Molecules and Their Interactions
Book Subtitle
Part 4 Theoretical Models of Chemical Bonding
Editors
  • Zvonimir B. Maksic
Series Title
Boston Studies in the Philosophy and History of Science
Series Volume
139
Copyright
1991
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-58183-0
DOI
10.1007/978-3-642-58183-0
Hardcover ISBN
978-3-540-51741-2
Softcover ISBN
978-3-642-63495-6
Series ISSN
0068-0346
Edition Number
1
Number of Pages
IX, 458
Topics