The Reaction Path in Chemistry: Current Approaches and Perspectives by D. Heidri

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Item specifics

Condition
Brand New: A new, unread, unused book in perfect condition with no missing or damaged pages. See the ...
ISBN-13
9789048145867
Book Title
The Reaction Path in Chemistry: Current Approaches and Perspectiv
ISBN
9789048145867

About this product

Product Information

The reaction pathway (RP) technique is a powerful tool in theoretical chemistry and chemical reaction theory. The present book discusses the background of the concept, both mathematical and physical, and outlines new developments. Different approaches to the RP are described, with particular emphasis on gradient extremals and the treatment of zero eigenvalues of rotation in the Cartesian Hessian matrix along the RP. There is an excellent review of geometric optimization methods, together with an outline of density functional theory. Some contributions reveal the progress made in interface dynamics calculations based on RP potentials and tunnelling with electronic structure theory ('direct dynamics'). Includes the very latest results in excited-state RP calculations (H transfer) and a theoretical view of the RPs of photodissociation processes using time-resolved femtosecond spectroscopy. The passage from the RP to the reaction mechanism is described by means of fundamental groups and symmetry rules. Audience: Researchers in theoretical chemistry, molecular modeling, physical chemistry, kinetics, and the biosciences.

Product Identifiers

Publisher
Springer
ISBN-13
9789048145867
eBay Product ID (ePID)
178388270

Product Key Features

Number of Pages
300 Pages
Language
English
Publication Name
The Reaction Path in Chemistry: Current Approaches and Perspectives
Publication Year
2010
Subject
Engineering & Technology, Chemistry
Type
Textbook
Author
D. Heidrich
Format
Paperback

Dimensions

Item Height
235 mm
Item Weight
480 g
Item Width
155 mm
Volume
16

Additional Product Features

Editor
D. Heidrich
Country/Region of Manufacture
Netherlands
Series Title
Understanding Chemical Reactivity

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