عنوان

Theories of molecular reaction dynamics :

شابک

0191525324

شابک

128134141X

شابک

1435642570

شابک

9780191525322

شابک

9781281341419

شابک

9781435642577

شماره

b539128

عنوان اصلي

Theories of molecular reaction dynamics :

نام عام مواد

[Book]

ساير اطلاعات عنواني

the microscopic foundation of chemical kinetics

نام نخستين پديدآور

Niels Engholm Henriksen and Flemming Yssing Hansen.

محل نشرو پخش و غیره

Oxford ; New York

نام ناشر، پخش کننده و غيره

Oxford University Press

تاریخ نشرو بخش و غیره

2008. ©2008

نام خاص و کميت اثر

(xi, 378 pages) : illustrations

عنوان فروست

Oxford graduate texts.

متن يادداشت

Introduction --;Nuclear dynamics: the Schrödinger equation --;Thermal equilibrium: the Boltzmann distribution --;PART I GAS-PHASE DYNAMICS --;From microscopic to macroscopic descriptions --;Cross-sections and rate constants --;Thermal equilibrium --;Potential energy surfaces --;The general topology of potential energy surfaces --;Molecular electronic energies, analytical results --;Bimolecular reactions, dynamics of collisions --;Quasi-classical dynamics --;Quantum dynamics --;Rate constants, reactive flux --;Classical dynamics --;Quantum dynamics --;Bimolecular reactions, transition-state theory --;Standard derivation --;A dynamical correction factor --;Systematic derivation --;Quantum mechanical corrections --;Applications of transition-state theory --;Thermodynamic formulation --;Unimolecular reactions --;True and apparent unimolecular reactions --;Dynamical theories --;Statistical theories --;Collisional activation and reaction --;Detection and control of chemical dynamics --;Microscopic interpretation of Arrhenius parameters --;The pre-exponential factor --;The activation energy --;PART II CONDENSED-PHASE DYNAMICS --;Introduction to condensed-phase dynamics --;Solvation, the Onsager model --;Diffusion and bimolecular reactions --;Static solvent effects, transition-state theory --;An introduction to the potential of mean force --;Transition-state theory and the potential of mean force --;Dynamic solvent effects, Kramers theory --;Brownian motion, the Langevin equation --;Kramers theory for the rate constant --;Beyond Kramers, Grote-Hynes theory and MD --;PART III APPENDICES --;Appendix A Statistical mechanics --;A system of non-interacting molecules --;Classical statistical mechanics --;Appendix B Microscopic reversibility and detailed balance --;Microscopic reversibility --;Detailed balance --;Appendix C Cross-sections in various frames --;Elastic and inelastic scattering of two molecules --;Reactive scattering between two molecules --;Appendix D Classical mechanics, coordinate transformations --;Diagonalization of the internal kinetic energy --;Appendix E Small-amplitude vibrations, normal-mode coordinates --;Diagonalization of the potential energy --;Transformation of the kinetic energy --;Transformation of phase-space volumes --;Appendix F Quantum mechanics --;Basic axioms of quantum mechanics --;Application of the axioms--examples --;The flux operator --;Time-correlation function of the flux operator --;Appendix G An integral --;Appendix H Dynamics of random processes --;The Fokker-Planck equation --;The Chandrasekhar equation --;Appendix I Multidimensional integrals, Monte Carlo method --;Random sampling and importance sampling --;Index.

متن يادداشت

This book deals with a central topic at the interface of chemistry and physics - the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for predicting the outcome of chemical reactions.

موضوع مستند نشده

Chemical reaction, Conditions and laws of.

موضوع مستند نشده

Molecular dynamics.

موضوع مستند نشده

SCIENCE -- Chemistry -- Physical & Theoretical.

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

Niels Engholm Henriksen and Flemming Yssing Hansen.

مستند نام اشخاص تاييد نشده

Flemming Yssing Hansen

مستند نام اشخاص تاييد نشده

Niels Engholm Henriksen

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y