Siu Chi-kit. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1999. / Includes bibliographical references (leaves 48-52). / Abstracts in English and Chinese. / TITLE PAGE --- p.i / THESIS COMMITTEE --- p.ii / ABSTRACT (ENGLISH) --- p.iii / (CHINESE) --- p.iv / ACKNOWLEDGEMENTS --- p.v / TABLE OF CONTENTS --- p.vi / LIST OF TABLES --- p.viii / LIST OF FIGURES --- p.ix / Chapter CHAPTER 1 --- Introduction --- p.1 / Chapter Section 1.1 --- Introduction --- p.1 / Chapter Section 1.2 --- Reaction of Chlorine Hydrolysis and Its Reverse Reaction --- p.2 / Chapter 1.2.1 --- Reaction in the Gas Phase --- p.2 / Chapter 1.2.2 --- Reaction in Aqueous Solution --- p.4 / Chapter 1.2.3 --- Reaction on Ice Surface --- p.5 / Chapter Section 1.3 --- Computational Method --- p.6 / Chapter Section 1.4 --- Study of Chemical Reaction by Constraint Molecular Dynamics --- p.8 / Chapter 1.4.1 --- Constraint Molecular Dynamics --- p.8 / Chapter 1.4.2 --- RATTLE Constraint Dynamics --- p.9 / Chapter 1.4.3 --- Free Energy of Chemical Reaction --- p.10 / Chapter 1.4.4 --- Radial Distribution Function --- p.11 / Chapter CHAPTER 2 --- "Ab initio Molecular Dynamics Study of the Reaction Between HC1 and HOC1 in Gas Phase, in Aqueous Solution and on Ice Surface" --- p.12 / Chapter Section 2.1 --- Structure of the Isolated Molecules --- p.13 / Chapter Section 2.2 --- Chlorine Hydrolysis in Aqueous Solution --- p.17 / Chapter 2.2.1 --- Model --- p.17 / Chapter 2.2.2 --- Results and Discussion --- p.18 / Chapter 2.2.3 --- Conclusion --- p.31 / Chapter Section 2.3 --- Heterogeneous Reaction of HC1 and HOC1 on Ice Surface --- p.32 / Chapter 2.3.1 --- Model --- p.32 / Chapter 2.3.2 --- Results and Discussion --- p.36 / Chapter 2.3.3 --- Conclusion --- p.45 / Chapter Section 2.4 --- "Comparison of the Reaction between HC1 and HOC1 in Gas Phase, in Aqueous Solution and on Ice Surface" --- p.46 / REFERENCES --- p.48
| Identifer | oai:union.ndltd.org:cuhk.edu.hk/oai:cuhk-dr:cuhk_322756 |
| Date | January 1999 |
| Contributors | Siu, Chi-Kit., Chinese University of Hong Kong Graduate School. Division of Chemistry. |
| Source Sets | The Chinese University of Hong Kong |
| Language | English, Chinese |
| Detected Language | English |
| Type | Text, bibliography |
| Format | print, x, 52 leaves : ill. ; 30 cm. |
| Rights | Use of this resource is governed by the terms and conditions of the Creative Commons “Attribution-NonCommercial-NoDerivatives 4.0 International” License (http://creativecommons.org/licenses/by-nc-nd/4.0/) |
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