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Properties of Chemically Interesting Potential Energy Surfaces Dietmar Heidrich Author
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Properties of Chemically Interesting Potential Energy Surfaces Dietmar Heidrich Author - nuovo livro

ISBN: 9783540542865

Contemporary chemical reaction theory is the characterization of Potential Energy Hypersurfaces (PES). The authors critically analyze chemically and mathematically suitable reaction path … mais…

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Properties of Chemically Interesting Potential Energy Surfaces - Dietmar Heidrich/ Wolfgang Kliesch/ Wolfgang Quapp
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Dietmar Heidrich/ Wolfgang Kliesch/ Wolfgang Quapp:

Properties of Chemically Interesting Potential Energy Surfaces - Livro de bolso

ISBN: 9783540542865

*Properties of Chemically Interesting Potential Energy Surfaces* - Softcover reprint of the original 1st ed. 1991 / Taschenbuch für 106.99 € / Aus dem Bereich: Bücher, Wissenschaft, Chemi… mais…

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Properties of Chemically Interesting Potential Energy Surfaces - Heidrich, Dietmar; Quapp, Wolfgang; Kliesch, Wolfgang
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Heidrich, Dietmar; Quapp, Wolfgang; Kliesch, Wolfgang:
Properties of Chemically Interesting Potential Energy Surfaces - Livro de bolso

1991

ISBN: 3540542868

Softcover reprint of the original 1st ed. 1991 Kartoniert / Broschiert Physikalische Chemie, Hyperfläche; Reaktionskinetik; theoretischeChemie; chemicalreaction; Kinetics; quantumchemis… mais…

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Properties of Chemically Interesting Potential Energy Surfaces - Heidrich, Dietmar; Quapp, Wolfgang; Kliesch, Wolfgang
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Heidrich, Dietmar; Quapp, Wolfgang; Kliesch, Wolfgang:
Properties of Chemically Interesting Potential Energy Surfaces - Livro de bolso

1991, ISBN: 3540542868

Softcover reprint of the original 1st ed. 1991 Kartoniert / Broschiert Physikalische Chemie, Hyperfläche; Reaktionskinetik; theoretischeChemie; chemicalreaction; Kinetics; quantumchemis… mais…

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Heidrich, Dietmar; Kliesch, Wolfgang; Quapp, Wolfgang:
Properties of Chemically Interesting Potential Energy Surfaces (Lecture Notes in Chemistry, 56) - Livro de bolso

ISBN: 9783540542865

Springer, 1991-08-07. Paperback. New. New. In shrink wrap. Looks like an interesting title!, Springer, 1991-08-07, 6

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Properties of Chemically Interesting Potential Energy Surfaces
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3540542868

Dados detalhados do livro - Properties of Chemically Interesting Potential Energy Surfaces


EAN (ISBN-13): 9783540542865
ISBN (ISBN-10): 3540542868
Livro de capa dura
Livro de bolso
Ano de publicação: 1991
Editor/Editora: Springer Berlin Heidelberg

Livro na base de dados desde 2007-03-19T15:42:31-03:00 (Sao Paulo)
Página de detalhes modificada pela última vez em 2023-11-29T15:46:21-03:00 (Sao Paulo)
Número ISBN/EAN: 3540542868

Número ISBN - Ortografia alternativa:
3-540-54286-8, 978-3-540-54286-5
Ortografia alternativa e termos de pesquisa relacionados:
Autor do livro: quapp, kliesch, klies, wolfgan, heidrich
Título do livro: berlin, chemistry surfaces, potential energy surfaces, heidrich

Dados da editora

Autor: Dietmar Heidrich; Wolfgang Kliesch; Wolfgang Quapp
Título: Lecture Notes in Chemistry; Properties of Chemically Interesting Potential Energy Surfaces
Editora: Springer; Springer Berlin
183 Páginas
Ano de publicação: 1991-08-07
Berlin; Heidelberg; DE
Língua: Inglês
106,99 € (DE)
109,99 € (AT)
118,00 CHF (CH)
Available
VIII, 183 p. 45 illus.

BC; Hardcover, Softcover / Chemie/Theoretische Chemie; Quanten- und theoretische Chemie; Verstehen; Hyperfläche; Reaktionskinetik; Theoretische Chemie; chemical reaction; kinetics; quantum chemistry; theoretical chemistry; Theoretical Chemistry; Physical Chemistry; Physikalische Chemie; EA

1 Guidelines in the Development of the Theory of Chemical Reactivity using the Potential Energy Surface (PES) Concept.- 1.1 The Potential Energy Surface (PES) Concept.- 1.2 The Dimensionality Problem.- 1.3 On the Definition of a Reaction Path (RP).- 1.4 The Hierarchy and Competition of Reaction Theories.- 1.5 What about the Calculation of Absolute Reaction Rates?.- 1.6 Potential Energy Calculation and Gradient Revolution.- 1.7 The “State of the Art” in Everyday Study of Chemical Reactivity.- References.- 2 Analysis of Multidimensional Potential Energy Surfaces — Stationary and Critical Points.- 2.1 Basic Definitions and Notations.- 2.2 Geometrical Properties of PES.- 2.3 Stationary Points.- 2.4 Location of Stationary Points.- 2.5 Testing of Numerical Procedures.- 2.6 Zero Eigenvalues of the Hessian.- References.- 3 Analysis of Multidimensional Potential Energy Surfaces — Paths —.- 3.1 the Simple Valley Floor Line.- 3.2 Mathematics of Valley Floors.- 3.3 Steepest Descent Paths.- 3.4 The Independence of Steepest Descent Paths from Parameterization and Coordinate System.- References.- 4 Quantum Chemical Pes Calculations: The Proton Transfer Reactions.- 4.1 The Problem in Visualization of PES Properties.- References.- 4.2 PES Properties Along the Bimolecular Single Proton Transfer.- References.
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