Normal view MARC view ISBD view

Theories of Molecular Reaction Dynamics : the microscopic foundation of chemical kinetics / Niels Engholm Henriksen;

By: Henriksen, Niels EContributor(s): Henriksen, Niels E | Hansen, Flemming YMaterial type: Text

TextPublisher number: :Technical Bureau India Pvt. Ltd. | :E/261, Shastri Nagar Delhi:Technical Bureau India Pvt. Ltd. | :E/261, Shastri Nagar DelhiSeries: Oxford graduate textsPublication details: New York, : Oxford University Press, 2019Edition: 2nd EdDescription: xiii, 443 pages ; 26 cmISBN: 9780198805014Subject(s): Chemistry | Physical chemistry | Molecular dynamics | Chemical reaction, Conditions and lawsDDC classification: 541.394 HEN

Contents:

Part I. Gas-phase dynamics. From microscope to macroscope descriptions -- Potential energy surfaces -- Bimolecular reactions, dynamics of collisions -- Rate constants, reactive flux -- Bimolecular reactions, transition-state theory -- Unimolecular reactions -- Microscopic interpretations of Arrhenius parameters -- Part II. Condensed-phase dynamics. Introduction to condensed-phase dynamics -- Static solvent effects, transition-state theory -- Dynamic solvent effects: Kramers theory and beyond -- Part III. Appendices. Adiabatic and non-Adiabatic electron-nuclear dynamics -- Statistical mechanics -- Microscopic reversibility and detailed balance -- Cross-sections in various frames -- Internal kinetic energy, Jacobi coordinates -- Small-amplitude vibrations, normal-mode coordinates -- Quantum mechanics -- An integral -- Dynamics of random processes -- Multidimensional integrals, Monte Carlo method.

Summary: This book describes how chemical reactions take place at the atomic level and how one can calculate the rate of such reactions. The book features a systematic and comprehensive presentation of the subject with a wide range of examples and end-of-chapter problems

Tags from this library: No tags from this library for this title. Log in to add tags.

Average rating: 0.0 (0 votes)

Holdings ( 2 )
Title notes ( 2 )
Comments ( 0 )

Holdings
Item type	Current library	Call number	Status	Date due	Barcode	Item holds
Books	SNU LIBRARY	541.394 HEN (Browse shelf(Opens below))	Not For Loan		27958
Books	SNU LIBRARY	541.394 HEN (Browse shelf(Opens below))	Checked out to Biswajit Guchhait (20501118)	22/06/2022 00:00	27974

Total holds: 0

Browsing SNU LIBRARY shelves Close shelf browser (Hides shelf browser)

Previous								Next
Previous	541.394 CHA Chemical reactivity theory	541.394 ESP Chemical kinetics and reaction mechanisms	541.394 HEN Theories of Molecular Reaction Dynamics	541.394 HEN Theories of Molecular Reaction Dynamics	541.394 HOU Chemical Kinetics and Reaction Dynamics	541.394 HOU Chemical Kinetics and Reaction Dynamics	541.394 LEV Molecular Reaction Dynamics	Next

Part I. Gas-phase dynamics. From microscope to macroscope descriptions --
Potential energy surfaces --
Bimolecular reactions, dynamics of collisions --
Rate constants, reactive flux --
Bimolecular reactions, transition-state theory --
Unimolecular reactions --
Microscopic interpretations of Arrhenius parameters --
Part II. Condensed-phase dynamics. Introduction to condensed-phase dynamics --
Static solvent effects, transition-state theory --
Dynamic solvent effects: Kramers theory and beyond --
Part III. Appendices. Adiabatic and non-Adiabatic electron-nuclear dynamics --
Statistical mechanics --
Microscopic reversibility and detailed balance --
Cross-sections in various frames --
Internal kinetic energy, Jacobi coordinates --
Small-amplitude vibrations, normal-mode coordinates --
Quantum mechanics --
An integral --
Dynamics of random processes --
Multidimensional integrals, Monte Carlo method.

This book describes how chemical reactions take place at the atomic level and how one can calculate the rate of such reactions. The book features a systematic and comprehensive presentation of the subject with a wide range of examples and end-of-chapter problems

There are no comments on this title.

to post a comment.