Properties of Chemically Interesting Potential Energy Surfaces

Properties of Chemically Interesting Potential Energy Surfaces

Author: Dietmar Heidrich

Publisher: Springer Science & Business Media

ISBN: 9783642934995

Category: Science

Page: 183

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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.
Properties of Chemically Interesting Potential Energy Surfaces
Language: en
Pages: 183
Authors: Dietmar Heidrich, Wolfgang Kliesch, Wolfgang Quapp
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

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
Potential Energy Surfaces
Language: en
Pages: 233
Authors: Alexander F. Sax
Categories: Science
Type: BOOK - Published: 2012-12-06 - Publisher: Springer Science & Business Media

Potential Energy Surfaces is a collection of lectures given at the 1996 Mariapfarr Workshop in Theoretical Chemistry, organized by Alexander F. Sax. The Mariapfarr Workshops' aim is to discuss in-depth topics in Theoretical Chemistry. The target group of these workshops is graduate students and postdocs.
Potential Energy Surfaces and Dynamics Calculations
Language: en
Pages: 866
Authors: Donald Truhlar
Categories: Science
Type: BOOK - Published: 2013-06-20 - Publisher: Springer

The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes
Potential Energy Surfaces
Language: en
Pages: 234
Authors: David Michael Hirst, Michael Hirst
Categories: Science
Type: BOOK - Published: 1985 - Publisher: Taylor & Francis Group

Books about Potential Energy Surfaces
POTENTIAL ENERGY SURFACES IN CHEMISTRY PROCEEDINGS OF A CONFERENCE.
Language: en
Pages:
Authors: David Michael Hirst, Michael Hirst
Categories: Science
Type: BOOK - Published: - Publisher:

Books about POTENTIAL ENERGY SURFACES IN CHEMISTRY PROCEEDINGS OF A CONFERENCE.