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Properties of Chemically Interesting Potential Energy Surfaces
Heidrich, D.; Kliesch, Wolfgang; Quapp, Wolfgang
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Description for Properties of Chemically Interesting Potential Energy Surfaces
Paperback. This is a summary of modern chemical reaction theories in the light of the reaction path concept of potential energy hypersurfaces (PES). It presents a simple mathematical analysis of stationary and critical points of the PES and aims to provide the tools necessary for studying chemical reactions. Series: Lecture Notes in Chemistry. Num Pages: 191 pages, 45 black & white illustrations, biography. BIC Classification: PNR. Category: (P) Professional & Vocational; (UP) Postgraduate, Research & Scholarly. Dimension: 242 x 170 x 11. Weight in Grams: 351.
Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path definitions. The book presents a simple mathematical analysis of stationary and critical points of the PES. It provides tools for studying chemical reactions by calculating reaction paths and related curves. A further aspect of the book is the dependence of PES properties on approximations used for the analysis. Recent quantum chemical calculations, particularly of single proton transfer processes, and experimental data are compared. The book addresses students and researchers in Theoretical Chemistry, Chemical Kinetics and related fields.
Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path definitions. The book presents a simple mathematical analysis of stationary and critical points of the PES. It provides tools for studying chemical reactions by calculating reaction paths and related curves. A further aspect of the book is the dependence of PES properties on approximations used for the analysis. Recent quantum chemical calculations, particularly of single proton transfer processes, and experimental data are compared. The book addresses students and researchers in Theoretical Chemistry, Chemical Kinetics and related fields.
Product Details
Format
Paperback
Publication date
1991
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Germany
Number of pages
191
Condition
New
Series
Lecture Notes in Chemistry
Number of Pages
183
Place of Publication
Berlin, Germany
ISBN
9783540542865
SKU
V9783540542865
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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