Introduction to molecular dynamics and chemical kinetics:
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
New York [u.a.]
Wiley
1996
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| Schriftenreihe: | A Wiley-Interscience publication
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XII, 183 S. graph. Darst. |
| ISBN: | 0471127396 |
Internformat
MARC
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Datensatz im Suchindex
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| adam_text | INTRODUCTION TO MOLECULAR DYNAMICS AND CHEMICAL KINETICS GERT D. BILLING
DEPARTMENT OF CHEMISTRY H. C. 0RSTED INSTITUTE UNIVERSITY OF COPENHAGEN
KURT V. MIKKELSEN DEPARTMENT OF CHEMISTRY ARHUS UNIVERSITY A
WILEY-INTERSCIENCE PUBLICATION JOHN WTLEY & SONS, INC. NEW YORK *
CHICHESTER * BRISBANE * TORONTO * SINGAPORE CONTENTS PREFACE XI 1
INTRODUCTION 1 2 INTERACTION POTENTIALS 3 2.1 THE HARMONIE POTENTIAL, 3
2.2 THREE-BODY INTERACTION, 7 3 RELATIVE MOTION 13 4 COLLISIONAL
APPROACH 18 4.1 THE REACTION CROSS SECTION, 19 5 PARTITION FUNCTIONS 25
5.1 EQUILIBRIUM CONSTANTS, 29 6 TRANSITION STATE THEORY 31 7 GENERALIZED
TRANSITION STATE THEORY 39 8 THEORY FOR UNIMOLECULAR REACTIONS 45 8.1
THE HIGH-PRESSURE LIMIT, 48 8.2 THE LOW-PRESSURE LIMIT, 52 VII VIII
CONTENTS 8.3 CALCULATION OF THE DENSITY OF STATES, 53 8.3.1 ROTATIONAL
MOTION, 54 8.3.2 VIBRATIONAL MOTION, 55 9 CLASSICAL DYNAMICS 60 9.1
INITIALIZATION, 63 9.2 FINAL STATE ANALYSIS, 66 10 NONADIABATIC
TRANSITIONS 69 10.1 THE TWO-STATE CASE, 70 11 SURFACE KINETICS 75 11.1
INTRODUCTION, 75 11.2 WALL COLLISIONS, 75 11.3 THE ADSORPTION ISOTHERM,
77 11.4 SURFACE DIFFUSION, 80 12 CHEMICAL REACTIONS IN SOLUTION 83 12.1
TRANSPORTATION OF MATTER IN SOLUTION, 83 12.1.1 MASS TRANSFER, 83 12.1.2
MICROSCOPIC VIEW OF DIFFUSION, 86 12.1.3 FICK S LAWS OF DIFFUSION, 87
12.2 BROWNIAN MOTION, 89 12.3 AN APPLICATION OF FICK S LAW, 94 13
ENERGETIC ASPECTS OF SOLVENT EFFECTS ON SOLUTES 98 13.1 INTRODUCTION, 98
13.2 THE DIELECTRIC MEDIUM REPRESENTATION, 99 13.3 NONEQUILIBRIUM
SOLVENT CONFLGURATION, 102 14 MODELS FOR CHEMICAL REACTIONS IN SOLUTION
107 14.1 TRANSITION STATE THEORY, 111 14.2 DIFFUSION RNFLUENCED
REACTIONS, 116 14.3 THE DIFFUSION MODEL AND CHEMICAL ACTIVATION, 118 15
KRAMERS THEORY 124 15.1 THE KLEIN-KRAMERS EQUATION, 126 15.2 CHEMICAL
ACTIVATION, 129 CONTENTS IX 16 THE CLASSICAL MODEL OF ELECTRON TRANSFER
REACTIONS IN SOLUTION 136 16.1 INTRODUCTION, 136 16.2 THE ELECTROSTATIC
MODEL, 138 16.3 CHEMICAL ACTIVATION, 140 APPENDIX A: UNITS 147 APPENDIX
B: INTEGRALS AND FUNCTIONS 149 APPENDIX C: LAPLACE TRANSFORM 151
APPENDIX D: STATISTICAL MECHANICS 154 APPENDIX E: NOTES ON THE SOLVENT
MODEL 158 APPENDIX F: ELECTROSTATIC ENERGY OF A POLARIZED DIELECTRIC 161
APPENDIX G: ANSWERS TO EXERCISES 164 INDEX 181
|
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| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik Chemie |
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| illustrated | Illustrated |
| indexdate | 2024-07-09T18:04:22Z |
| institution | BVB |
| isbn | 0471127396 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-007453289 |
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| physical | XII, 183 S. graph. Darst. |
| publishDate | 1996 |
| publishDateSearch | 1996 |
| publishDateSort | 1996 |
| publisher | Wiley |
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| series2 | A Wiley-Interscience publication |
| spelling | Billing, Gert D. Verfasser aut Introduction to molecular dynamics and chemical kinetics Gert D. Billing ; Kurt V. Mikkelsen New York [u.a.] Wiley 1996 XII, 183 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier A Wiley-Interscience publication Reaktionsdynamik (DE-588)4301792-7 gnd rswk-swf Molekulardynamik (DE-588)4170370-4 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 gnd rswk-swf Reaktionskinetik (DE-588)4048655-2 s Molekulardynamik (DE-588)4170370-4 s DE-604 Reaktionsdynamik (DE-588)4301792-7 s Mikkelsen, Kurt V. Verfasser aut GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=007453289&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Billing, Gert D. Mikkelsen, Kurt V. Introduction to molecular dynamics and chemical kinetics Reaktionsdynamik (DE-588)4301792-7 gnd Molekulardynamik (DE-588)4170370-4 gnd Reaktionskinetik (DE-588)4048655-2 gnd |
| subject_GND | (DE-588)4301792-7 (DE-588)4170370-4 (DE-588)4048655-2 |
| title | Introduction to molecular dynamics and chemical kinetics |
| title_auth | Introduction to molecular dynamics and chemical kinetics |
| title_exact_search | Introduction to molecular dynamics and chemical kinetics |
| title_full | Introduction to molecular dynamics and chemical kinetics Gert D. Billing ; Kurt V. Mikkelsen |
| title_fullStr | Introduction to molecular dynamics and chemical kinetics Gert D. Billing ; Kurt V. Mikkelsen |
| title_full_unstemmed | Introduction to molecular dynamics and chemical kinetics Gert D. Billing ; Kurt V. Mikkelsen |
| title_short | Introduction to molecular dynamics and chemical kinetics |
| title_sort | introduction to molecular dynamics and chemical kinetics |
| topic | Reaktionsdynamik (DE-588)4301792-7 gnd Molekulardynamik (DE-588)4170370-4 gnd Reaktionskinetik (DE-588)4048655-2 gnd |
| topic_facet | Reaktionsdynamik Molekulardynamik Reaktionskinetik |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=007453289&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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