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by Dietmar Heidrich,Wolfgang Kliesch,Wolfgang Quapp
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Chemistry
  • Author:
    Dietmar Heidrich,Wolfgang Kliesch,Wolfgang Quapp
  • ISBN:
    3540542868
  • ISBN13:
    978-3540542865
  • Genre:
  • Publisher:
    Springer; Softcover reprint of the original 1st ed. 1991 edition (September 12, 1991)
  • Pages:
    183 pages
  • Subcategory:
    Chemistry
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    1120 kb
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    1592 kb
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    1827 kb
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    4.1
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    292
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Lecture Notes in Chemistry. Properties of Chemically Interesting Potential Energy Surfaces. Authors: Heidrich, Dietmar, Kliesch, Wolfgang, Quapp, Wolfgang.

Lecture Notes in Chemistry. 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.

1991 Серия: Lecture Notes in Chemistry Язык: ENG Размер: 2. 1 x 1. 9 x . 7 cm Основная тема: Chemistry Рейтинг: Поставляется из: Германии Описание: Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES).

oceedings{esOC, title {Properties of Chemically Interesting Potential Energy Surfaces}, author {Dietmar Heidrich and Wolfgang Kliesch and Wolfgang Quapp}, year {1991} }. Dietmar Heidrich, Wolfgang Kliesch, Wolfgang Quapp. 1 Guidelines in the Development of the Theory of Chemical Reactivity using the Potential Energy Surface (PES) Concept. . The Potential Energy Surface (PES) Concept. The Dimensionality Problem. On the Definition of a Reaction Path (RP). The Hierarchy and Competition of Reaction Theories

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Heidrich, W. Kliesch, W. Quapp. Published: 1 January 1991. by Springer Science and Business Media LLC. in Lecture Notes in Chemistry. Lecture Notes in Chemistry, Volume 56; doi:10. Cited by 46 articles. For questions or feedback, please reach us at support at scilit.

In Properties of Chemically Interesting Potential Energy Surfaces.

The MP2/6-31G pp potential energy hypersurface (PES) of the chemically interesting molecule ion, C 2 H 5 1, is analyzed by new procedures proposed by us recently. In Properties of Chemically Interesting Potential Energy Surfaces. In this chapter we discuss ▸ the characterization and visualization of selected reaction PES (proton transfer reactions, Sect.

Quapp, . (Wolfgang), 1947-. Potential energy surfaces. Member of. Lecture notes in chemistry, 56. Series statement. Lecture notes in chemistry. 56. Properties of chemically interesting potential energy surfaces, D. Heidrich, W. Berlin New York, Springer-Verlag, c1991. Kliesch, . (Wolfgang), 1950-. Quapp, . Heidrich, . (Dietmar), 1938-.

Chemically Interesting Potential En- ergy Surfaces Springer-Verlag, Berlin (1991)

Heidrich, W. Quapp, Properties of Chemically Interesting Potential En- ergy Surfaces Springer-Verlag, Berlin (1991). E. Kracka, T. H. Dunning, J. Advances in Molecular Electronic Structure Theory; Calculation and Characterization of Molecular Potential Energy Surfaces T. Dun- ning, Jr. 129, JAI, Greenwich (1990). Quapp Properties of Chemical Interesting Potential Energy Surfaces (Lecture Notes in Chemistry Vol. 56). Springer-Verlag, Berlin Heidelberg New York, ISBN 3-540-54286-8 Springer-Verlag, New York Berlin Heidelberg ISBN 0-387-54286-8. Contents (in PDF-Format (75 kB) to download and print). Wolfgang Quapp would like to express his appreciation to the Fonds der chemischen Industrie and the Deutsche tt for supporting in part this work.

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.