Foundations of chemical kinetics : (Record no. 68408)
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| 000 -LEADER | |
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| fixed length control field | 07336nam a2200769 i 4500 |
| 001 - CONTROL NUMBER | |
| control field | 9780750353212 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | IOP |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20251030124217.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS | |
| fixed length control field | m eo d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr cn |||m|||a |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 230905s2023 enka fob 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780750353212 |
| Qualifying information | ebook |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780750353205 |
| Qualifying information | mobi |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Canceled/invalid ISBN | 9780750353199 |
| Qualifying information | |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| Canceled/invalid ISBN | 9780750353229 |
| Qualifying information | myPrint |
| 024 7# - OTHER STANDARD IDENTIFIER | |
| Standard number or code | 10.1088/978-0-7503-5321-2 |
| Source of number or code | doi |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (CaBNVSL)thg00083654 |
| 035 ## - SYSTEM CONTROL NUMBER | |
| System control number | (OCoLC)1396227883 |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | CaBNVSL |
| Language of cataloging | eng |
| Description conventions | rda |
| Transcribing agency | CaBNVSL |
| Modifying agency | CaBNVSL |
| 050 #4 - LIBRARY OF CONGRESS CALL NUMBER | |
| Classification number | QD502 |
| Item number | .R684 2023eb |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | PHVQ |
| Source | bicssc |
| 072 #7 - SUBJECT CATEGORY CODE | |
| Subject category code | SCI013050 |
| Source | bisacsh |
| 100 1# - MAIN ENTRY--PERSONAL NAME | |
| Personal name | Roussel, Marc R., |
| Dates associated with a name | 1966- |
| Relator term | author. |
| 9 (RLIN) | 96687 |
| 245 10 - TITLE STATEMENT | |
| Title | Foundations of chemical kinetics : |
| Remainder of title | a hands-on approach / |
| Statement of responsibility, etc. | Marc R. Roussel. |
| 264 #1 - PRODUCTION, PUBLICATION, DISTRIBUTION, MANUFACTURE, AND COPYRIGHT NOTICE | |
| Place of production, publication, distribution, manufacture | Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) : |
| Name of producer, publisher, distributor, manufacturer | IOP Publishing, |
| Date of production, publication, distribution, manufacture, or copyright notice | [2023] |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 online resource (various pagings) : |
| Other physical details | illustrations (some color). |
| 336 ## - CONTENT TYPE | |
| Content type term | text |
| Source | rdacontent |
| 337 ## - MEDIA TYPE | |
| Media type term | electronic |
| Source | isbdmedia |
| 338 ## - CARRIER TYPE | |
| Carrier type term | online resource |
| Source | rdacarrier |
| 490 1# - SERIES STATEMENT | |
| Series statement | [IOP release $release] |
| 490 1# - SERIES STATEMENT | |
| Series statement | IOP ebooks. [2023 collection] |
| 500 ## - GENERAL NOTE | |
| General note | "Version: 20230801"--Title page verso. |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Includes bibliographical references and index. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | part I. Gas-phase kinetics. 1. A review of basic concepts in chemical kinetics -- 1.1. Some basic definitions -- 1.2. The steady-state and equilibrium approximations -- 1.3. The temperature dependence of rate constants |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 2. The Boltzmann distribution -- 2.1. Statistical ideas in molecular science -- 2.2. The Boltzmann distribution -- 2.3. The Boltzmann distribution in classical mechanics -- 2.4. Vibrational energy levels and the density of states -- 2.5. The derivation of the Arrhenius equation -- 2.6. The Maxwell-Boltzmann distribution |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 3. Gas-phase collision theory -- 3.1. Simple collision theory -- 3.2. Molecular beam experiments -- 3.3. Reactive scattering |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 4. Molecular properties from Gaussian calculations -- 4.1. An overview of important ideas in computational chemistry -- 4.2. Learning Gaussian |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 5. Potential energy surfaces -- 5.1. The potential energy surfaces of chemical reactions -- 5.2. The importance of the potential energy surface -- 5.3. Avoided crossings |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 6. The statistical treatment of equilibrium -- 6.1. A brief review of molecular energy levels -- 6.2. Partition functions -- 6.3. A statistical approach to equilibrium |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 7. Transition-state theory -- 7.1. The thermodynamic formalism -- 7.2. Calculating rate constants in TST -- 7.3. Strong and weak points of TST -- 7.4. Variational transition-state theory -- 7.5. Tunneling corrections |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 8. Gas-phase unimolecular reactions -- 8.1. The Lindemann mechanism -- 8.2. Some useful mathematics -- 8.3. RRK theory -- 8.4. RRKM theory |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 9. The master equation -- 9.1. The derivation of the master equation -- 9.2. The master equation and the equilibrium distribution -- 9.3. IVR in the RRK theory : a master equation approach -- 9.4. The kinetic Monte Carlo algorithm -- 9.5. Theories or models? |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 10. The chemical master equation -- 10.1. The chemical master equation -- 10.2. The reaction propensities -- 10.3. The stationary distribution -- 10.4. The relationship between the chemical master equation and mass-action kinetics -- 10.5. The CME and the curse of dimensionality -- 10.6. The Gillespie stochastic simulation algorithm |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | part II. Solution-phase kinetics. 11. Diffusion-influenced reactions -- 11.1. Some useful concepts from vector calculus -- 11.2. The chemical potential -- 11.3. Diffusion -- 11.4. The theory of diffusion-influenced reactions |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 12. Transition-state theory in solution -- 12.1. Should we be using transition-state theory for reactions in solution? -- 12.2. Rate constants in solution according to transition-state theory -- 12.3. What transition-state theory tells us about reactions in solution -- 12.4. Kramers' theory |
| 505 8# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | 13. Marcus electron-transfer theory -- 13.1. A mechanistic decomposition of electron-transfer reactions -- 13.2. Harmonic model -- Appendix A. Matlab programming. |
| 520 3# - SUMMARY, ETC. | |
| Summary, etc. | This book examines the foundational theories of chemical kinetics. The first part covers gas-phase kinetics, while the second focuses on reactions in solution. Expounding on the theory, the book explains calculation procedures in detail using modern computational tools, enabling students to directly apply the theories described. Additional chapters and appendices provide background material necessary to apply these theories. Accompanied by detailed examples using Gaussian (with GaussView) and Matlab, this practical hands-on book provides a first step towards doing more sophisticated calculations as part of a research project. Aimed at senior undergraduate and graduate students, this book focuses on theories that provide insights into basic physical principles that govern the rates of chemical reactions. |
| 521 ## - TARGET AUDIENCE NOTE | |
| Target audience note | Senior undergraduate and graduate students. |
| 530 ## - ADDITIONAL PHYSICAL FORM AVAILABLE NOTE | |
| Additional physical form available note | Also available in print. |
| 538 ## - SYSTEM DETAILS NOTE | |
| System details note | Mode of access: World Wide Web. |
| 538 ## - SYSTEM DETAILS NOTE | |
| System details note | System requirements: Adobe Acrobat Reader, EPUB reader, or Kindle reader. |
| 545 ## - BIOGRAPHICAL OR HISTORICAL DATA | |
| Biographical or historical data | Marc Roussel earned a Bachelor's degree in Chemical Physics from Queen's University in 1988. He then went on to graduate work in the Chemical Physics Theory Group at the University of Toronto under the supervision of Simon J. Fraser, earning an M.Sc. in 1990 and a Ph.D. in 1994. Marc subsequently took up an NSERC Postdoctoral Fellowship with Professor Michael C. Mackey in the Physiology Department at McGill University. In 1995, Marc was hired as a tenure-track Assistant Professor by the Department of Chemistry at the University of Lethbridge. He was promoted to Associate Professor in 2000, and to Professor in 2005. Marc maintains a vigorous research program in mathematical biology, including fundamental work on the formulation and analysis of models, and applied studies of gene expression systems. He teaches a broad range of courses in introductory and physical chemistry, as well as more specialized courses in nonlinear dynamics and mathematical biology. He has authored a textbook entitled A Life Scientist's Guide to Physical Chemistry (Cambridge University Press, 2012), as well as a previous title in the IOP ebook series, Nonlinear Dynamics: A Hands-On Introductory Survey. |
| 588 0# - SOURCE OF DESCRIPTION NOTE | |
| Source of description note | Title from PDF title page (viewed on September 5, 2023). |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| 9 (RLIN) | 73695 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| General subdivision | Mathematics. |
| 9 (RLIN) | 96688 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| Form subdivision | Problems, exercises, etc. |
| 9 (RLIN) | 96689 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| Source of heading or term | bicssc |
| 9 (RLIN) | 96690 |
| 650 #7 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | |
| Source of heading or term | bisacsh |
| 9 (RLIN) | 64532 |
| 710 2# - ADDED ENTRY--CORPORATE NAME | |
| Corporate name or jurisdiction name as entry element | Institute of Physics (Great Britain), |
| Relator term | publisher. |
| 9 (RLIN) | 17702 |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Print version: |
| International Standard Book Number | 9780750353199 |
| -- | 9780750353229 |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | IOP (Series). |
| Name of part/section of a work | Release 23. |
| 830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE | |
| Uniform title | IOP ebooks. |
| Name of part/section of a work | 2023 collection. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | <a href="https://iopscience.iop.org/book/mono/978-0-7503-5321-2">https://iopscience.iop.org/book/mono/978-0-7503-5321-2</a> |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | |
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