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An on-line handwritten Chinese input system using a "unique character mapping" algorithm.January 1987 (has links)
by Chan Shing Chi, Michael. / Thesis (M.Ph.)--Chinese University of Hong Kong, 1987. / Bibliography: leaves [112]-[114]
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Chinese character processing.January 1987 (has links)
by Yeung Chuen-sang. / Thesis (M.Ph.)--Chinese University of Hong Kong, 1987. / Bibliography: leaves 190-194.
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A methodology for constructing compact Chinese font libraries by radical composition.January 1993 (has links)
by Wai-Yip Tung. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1993. / Includes bibliographical references (leaves 55-56). / Chapter 1. --- Introduction --- p.1 / Chapter 1.1. --- Previous work --- p.2 / Chapter 1.1.1. --- A Chinese METAFONT --- p.2 / Chapter 1.1.2. --- Chinese character generator --- p.2 / Chapter 1.1.3. --- Chinese Character Design System CCDS --- p.2 / Chapter 1.2. --- Goals of the thesis --- p.3 / Chapter 1.3. --- Overview of the thesis --- p.3 / Chapter 2. --- Construction of Chinese Characters --- p.5 / Chapter 2.1 --- Introduction --- p.5 / Chapter 2.2. --- liu shu(六書)Six Principles of Chinese Character Construction --- p.5 / Chapter 2.3. --- Structural Analysis of Chinese Characters --- p.7 / Chapter 2.3.1. --- Left-Right Structure --- p.8 / Chapter 2.3.2. --- Top-Bottom Structure --- p.9 / Chapter 2.3.3. --- Inside-Outside Structure --- p.10 / Chapter 2.3.4. --- Singleton Structure --- p.10 / Chapter 2.4. --- Usage frequency of radicals --- p.11 / Chapter 2.5. --- Usage frequency of Bushou --- p.11 / Chapter 2.6. --- Usage frequency of Shengpang --- p.13 / Chapter 2.7. --- Summary --- p.15 / Chapter 3. --- Composition by Radicals --- p.17 / Chapter 3.1. --- Introduction --- p.17 / Chapter 3.2. --- Transforming radicals --- p.18 / Chapter 3.3. --- Quality of transformed radicals --- p.19 / Chapter 3.4. --- Lower level components --- p.20 / Chapter 3.5. --- Summary --- p.23 / Chapter 4. --- Automatic Hinting for Chinese Font --- p.24 / Chapter 4.1 --- Introduction --- p.24 / Chapter 4.2. --- Automatic hinting for Chinese font --- p.26 / Chapter 4.3. --- Stroke recognition --- p.30 / Chapter 4.3.1. --- Identify horizontal lines --- p.31 / Chapter 4.3.2. --- Identify stroke segments --- p.31 / Chapter 4.3.3. --- Stroke recognition --- p.32 / Chapter 4.4. --- Regularize stroke width --- p.33 / Chapter 4.5. --- Grid-fitting horizontal and vertical strokes --- p.33 / Chapter 4.6. --- Grid-fitting radicals --- p.37 / Chapter 4.7. --- Summary --- p.39 / Chapter 5. --- RADIT - A Chinese Font Editor --- p.41 / Chapter 5.1. --- Introduction --- p.41 / Chapter 5.2. --- RADIT basics --- p.41 / Chapter 5.2.1. --- Character selection window --- p.42 / Chapter 5.2.2. --- Character window --- p.42 / Chapter 5.2.3. --- Tools Palette --- p.43 / Chapter 5.2.4. --- Toolbar --- p.43 / Chapter 5.2.5. --- Zooming the character window --- p.44 / Chapter 5.3. --- Editing a character --- p.44 / Chapter 5.3.1. --- Selecting handles --- p.44 / Chapter 5.3.2. --- Adding lines and curves --- p.45 / Chapter 5.3.3. --- Delete control points --- p.45 / Chapter 5.3.4. --- Moving control points --- p.45 / Chapter 5.3.5. --- Cut and paste --- p.46 / Chapter 5.3.6. --- Undo --- p.46 / Chapter 5.4. --- Adding radicals to a character --- p.46 / Chapter 5.5. --- Rasterizing and grid-fitting a character --- p.47 / Chapter 5.5.1. --- Rasterizing a character --- p.48 / Chapter 5.5.2. --- Stroke detection and regularization --- p.48 / Chapter 5.5.3. --- Grid-fitting and rasterizing a character --- p.49 / Chapter 6. --- Conclusions --- p.50 / Appendix A: Sample Fonts --- p.52 / References --- p.55
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Chinese outline fonts support in X Window System.January 1994 (has links)
by Raymond Cheuk-kuen Chen. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1994. / Includes bibliographical references (leaves 157-160). / Chapter 1. --- INTRODUCTION --- p.8 / Chapter 1.1. --- Windowing System --- p.8 / Chapter 1.2. --- Fonts --- p.10 / Chapter 1.2.1. --- Bitmap Fonts --- p.11 / Chapter 1.2.2. --- Outline Fonts --- p.12 / Chapter 1.3. --- Different font support models --- p.15 / Chapter 1.3.1. --- Supported by applications --- p.15 / Chapter 1.3.2. --- Supported by windowing system --- p.17 / Chapter 1.3.'3. --- Supported by a dedicated server --- p.19 / Chapter 1.4. --- Issues of Chinese Font Support --- p.20 / Chapter 2. --- OVERVIEW OF X WINDOW SYSTEM --- p.22 / Chapter 2.1. --- Introduction --- p.22 / Chapter 2.2. --- Architecture --- p.23 / Chapter 2.3. --- Font Management in the X Window System --- p.23 / Chapter 2.3.1. --- Before X Version 11 Release5 --- p.24 / Chapter 2.3.2. --- In X Version 11 Release5 --- p.25 / Chapter 2.3.3. --- Portable Compiled Format --- p.25 / Chapter 2.3.4. --- Font Server --- p.26 / Chapter 2.3.5. --- Font Management Library --- p.28 / Chapter 2.4. --- Internal Code --- p.29 / Chapter 3. --- CHINESE FONT SERVER --- p.30 / Chapter 3.1. --- Motivation --- p.30 / Chapter 3.2. --- Font Server Architecture --- p.31 / Chapter 3.2.1. --- Device Independent Font Server layer(DIFS) --- p.32 / Chapter 3.2.2. --- Operating System layer(OS) --- p.32 / Chapter 3.2.3. --- Font Management Library(FML) --- p.33 / Chapter 3.2.4. --- Font Path Element --- p.34 / Chapter 3.2.5. --- Font File Renderer --- p.35 / Chapter 3.2.6. --- Font server Renderer --- p.36 / Chapter 3.3. --- Implementation of Chinese Font Server --- p.36 / Chapter 3.3.1. --- Font data and code set --- p.36 / Chapter 3.3.2. --- Registering a new font reader --- p.38 / Chapter 3.3.3. --- Font specific functions --- p.42 / Chapter 3.3.4. --- Load-All Scheme --- p.43 / Chapter 3.3.5. --- Demand-Loading Scheme --- p.44 / Chapter 3.3.6. --- Embedding of font rasterizer --- p.44 / Chapter 3.4. --- Test Results --- p.45 / Chapter 3.4.1. --- X Application Tests --- p.45 / Chapter 3.4.2. --- Demand-Loading Test --- p.49 / Chapter 3.5. --- Some Remarks --- p.53 / Chapter 4. --- OVERVIEW OF PRINTING SYSTEM --- p.54 / Chapter 4.1. --- Motivation --- p.54 / Chapter 4.2. --- Design Considerations --- p.56 / Chapter 4.2.1. --- Modification of the X server --- p.56 / Chapter 4.2.2. --- Embed the printing system into the font server --- p.57 / Chapter 4.2.3. --- Distributed Architecture --- p.58 / Chapter 4.3. --- System Architecture --- p.60 / Chapter 4.4. --- Printer Server --- p.61 / Chapter 4.5. --- Font Server --- p.63 / Chapter 4.6. --- Printing Services Protocols --- p.63 / Chapter 4.7. --- X Window System Server --- p.65 / Chapter 4.8. --- Printer Server Library --- p.65 / Chapter 4.9. --- Client Applications --- p.65 / Chapter 5. --- DESIGN AND IMPLEMENTATION OF A PRINTER SERVER --- p.67 / Chapter 5.1. --- Objects identification --- p.67 / Chapter 5.1.1. --- Dispatcher (dispatcher) --- p.68 / Chapter 5.1.2. --- Communication Channel (ComChannel) --- p.68 / Chapter 5.1.3. --- Font Cache Manager (FnCache) --- p.69 / Chapter 5.1.4. --- PrnFont (PrnFont) --- p.69 / Chapter 5.1.5. --- Per-Font Cache (CacheStruct) 一- --- p.70 / Chapter 5.1.6. --- Font Server (FnServer) --- p.71 / Chapter 5.1.7. --- Client Manager (LRUList) --- p.71 / Chapter 5.1.8. --- Client Record (ClientRec) --- p.71 / Chapter 5.1.9. --- Printer Driver (PrnDriver) --- p.71 / Chapter 5.1.10. --- Down Loaded Font Table (DownLoadedFont) --- p.72 / Chapter 5.1.11. --- Request Header (reqHeader) --- p.72 / Chapter 5.1.12. --- Generic Reply(replyGeneric) --- p.74 / Chapter 5.2. --- Objects Organization --- p.74 / Chapter 5.2.1. --- Server Control Subsystem --- p.75 / Chapter 5.2.2. --- Client Management Subsystem --- p.78 / Chapter 5.2.3. --- Request Handling Subsystem --- p.84 / Chapter 5.2.4. --- Font Managing Subsystem --- p.86 / Chapter 6. --- SAMPLE PRINTER DRIVER --- p.94 / Chapter 6.1. --- Printer Control Languages --- p.94 / Chapter 6.1.1. --- Structure of PCL Command --- p.95 / Chapter 6.1.2. --- PCL Command Example --- p.97 / Chapter 6.2. --- Printer Font Resources --- p.98 / Chapter 6.3. --- Traditional Font Handling Methods in a Printer Driver --- p.99 / Chapter 6.4. --- Soft Font Creation in PCL Printer --- p.101 / Chapter 6.4.1. --- Font ID number --- p.102 / Chapter 6.4.2. --- Font Descriptor --- p.102 / Chapter 6.4.3. --- Character Code - --- p.104 / Chapter 6.4.4. --- Character Descriptor --- p.105 / Chapter 6.4.5. --- Character Bitmap Data --- p.107 / Chapter 6.5. --- New font downloading schemes for double-byte fonts --- p.107 / Chapter 6.5.1. --- Terminology --- p.108 / Chapter 6.5.2. --- Underlying Concepts of Algorithm One --- p.109 / Chapter 6.5.3. --- Algorithm One --- p.111 / Chapter 6.5.3.1. --- Code Mapping --- p.112 / Chapter 6.5.3.2. --- Example --- p.114 / Chapter 6.5.3.3. --- Memory Consideration --- p.115 / Chapter 6.5.4. --- Algorithm Two --- p.117 / Chapter 7. --- EXPERIMENT RESULTS AND DISCUSSIONS --- p.121 / Chapter 7.1. --- Cache Test --- p.121 / Chapter 7.2. --- Printer Driver Test --- p.125 / Chapter 7.2.1. --- Testing with 10 points font --- p.126 / Chapter 7.2.2. --- Testing with 12 points font --- p.129 / Chapter 7.2.3. --- Testing with 15 points font --- p.131 / Chapter 7.2.4. --- Testing with 18 points font --- p.134 / Chapter 7.3. --- Time Measurement --- p.136 / Chapter 7.4. --- Discussion --- p.139 / Chapter 7.5. --- Further Improvement --- p.143 / Chapter 8. --- CONCLUSIONS --- p.145 / APPENDIX A. PRINTER DRIVER CLASS --- p.147 / APPENDIX B. SAMPLE OUTPUT --- p.149 / REFERENCES --- p.157
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Rasterization techniques for Chinese outline fonts.January 1994 (has links)
Kwong-ho Wu. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1994. / Includes bibliographical references (leaves 72-75). / Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- Outline Fonts --- p.2 / Chapter 1.1.1 --- Advantages and Disadvantages --- p.4 / Chapter 1.1.2 --- Representations --- p.4 / Chapter 1.1.3 --- Rasterization --- p.5 / Chapter 1.2 --- Introduction to This Thesis --- p.6 / Chapter 1.2.2 --- Organization --- p.7 / Chapter 1.2.1 --- Objectives --- p.7 / Chapter 2 --- Chinese Characters Fonts --- p.8 / Chapter 2.1 --- Large Character Set --- p.8 / Chapter 2.2 --- Font Styles --- p.8 / Chapter 2.3 --- Storage Problems --- p.9 / Chapter 2.4 --- Hierarchical Structure --- p.10 / Chapter 2.5 --- High Stroke Count --- p.11 / Chapter 3 --- Rasterization --- p.13 / Chapter 3.1 --- The Basic Rasterization --- p.13 / Chapter 3.1.1 --- Scan Conversion --- p.14 / Chapter 3.1.2 --- Filling Outline --- p.16 / Chapter 3.2 --- Font Rasterization --- p.17 / Chapter 3.2.1 --- Outline Scaling --- p.17 / Chapter 3.2.2 --- Hintings --- p.17 / Chapter 3.2.3 --- Basic Rasterization Approach for Chinese Fonts --- p.18 / Chapter 3.3 --- Hintings --- p.20 / Chapter 3.3.1 --- Phase Control --- p.20 / Chapter 3.3.2 --- Auto-Hints --- p.21 / Chapter 3.3.3 --- Storage of Hintings Information in TrueType Font and Postscript Font --- p.22 / Chapter 4 --- An Improved Chinese Font Rasterizer --- p.24 / Chapter 4.1 --- Floating Point Avoidance --- p.24 / Chapter 4.2 --- Filling --- p.25 / Chapter 4.2.1 --- Filling with Horizontal Scan Line --- p.25 / Chapter 4.2.2 --- Filling with Vertical Scan Line --- p.27 / Chapter 4.3 --- Hintings --- p.30 / Chapter 4.3.1 --- Assumptions --- p.30 / Chapter 4.3.2 --- Maintaining Regular Strokes Width --- p.30 / Chapter 4.3.3 --- Maintaining Regular Spacing Among Strokes --- p.34 / Chapter 4.3.4 --- Hintings of Single Stroke Contour --- p.42 / Chapter 4.3.5 --- Storing the Hinting Information in Font File --- p.49 / Chapter 4.4 --- A Rasterization Algorithm for Printing --- p.51 / Chapter 4.4.1 --- A Simple Algorithm for Generating Smooth Characters --- p.52 / Chapter 4.4.2 --- Algorithm --- p.54 / Chapter 4.4.3 --- Results --- p.54 / Chapter 5 --- Experiments --- p.56 / Chapter 5.1 --- Apparatus --- p.56 / Chapter 5.2 --- Experiments for Investigating Rasterization Speed --- p.56 / Chapter 5.2.1 --- Investigation into the Effects of Features of Chinese Fonts on Rasterization Time --- p.56 / Chapter 5.2.2 --- Improvement of Fast Rasterizer --- p.57 / Chapter 5.2.3 --- Details of Experiments --- p.57 / Chapter 5.3 --- Experiments for Rasterization Speed of Font File with Hints --- p.57 / Chapter 6 --- Results and Conclusions --- p.58 / Chapter 6.1 --- Observations --- p.58 / Chapter 6.1.1 --- Relationship Between Time for Rasterization and Stroke Count --- p.58 / Chapter 6.1.2 --- Effects of Style --- p.61 / Chapter 6.1.3 --- Investigation into the Observed Relationship --- p.62 / Chapter 6.2 --- Improvement of the Improved Rasterizer --- p.64 / Chapter 6.3 --- Gain and Cost of Inserting Hints into Font File --- p.68 / Chapter 6.3.1 --- Cost --- p.68 / Chapter 6.3.2 --- Gain --- p.68 / Chapter 6.4 --- Conclusions --- p.69 / Chapter 6.5 --- Future Work --- p.69 / Appendix
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Off-line recognition system for printed Chinese characters.January 1992 (has links)
Sin Ka Wai. / Thesis (M.Sc.)--Chinese University of Hong Kong, 1992. / Includes bibliographical references (leaves [81]-[82]). / PREFACE / ABSTRACT / CONTENT / Chapter §1. --- INTRODUCTION / Chapter §1.1 --- The Chinese language --- p.1 / Chapter §1.2 --- Chinese information processing system --- p.2 / Chapter §1.3 --- Chinese character recognition --- p.4 / Chapter §1.4 --- Multi-stage tree classifier Vs Single-stage tree classifier in Chinese character recognition --- p.6 / Chapter §1.5 --- Decision Tree / Chapter §1.5.1 --- Basic Terminology of a decision tree --- p.7 / Chapter §1.5.2 --- Structure design of a decision tree --- p.10 / Chapter §1.6 --- Motivation of the project --- p.12 / Chapter §1.7 --- Objects of the project --- p.14 / Chapter §1.8 --- Development environment --- p.14 / Chapter §2. --- APPROACH 1 - UNSUPERVISED LEARNING / Chapter §2.1 --- Idea --- p.15 / Chapter §2.2 --- Feature Extraction / Chapter §2.2.1 --- Feature selection criteria --- p.15 / Chapter §2.2.2 --- 4C code --- p.20 / Chapter §2.2.3 --- Regional code --- p.22 / Chapter §2.2.4 --- Walsh Transform --- p.24 / Chapter §2.2.5 --- Black dot density projection profile --- p.26 / Chapter §2.2.6 --- Corner features --- p.28 / Chapter §2.3 --- Clustering Method -K-MEANS & Other Algorithms --- p.32 / Chapter §2.4 --- Pros & Cons --- p.35 / Chapter §2.5 --- Decision Table --- p.37 / Chapter §2.6 --- The Optimum Classifier & its Implemen- tation difficulties --- p.39 / Chapter §3. --- APPROACH 2 - SUPERVISED LEARNING --- p.43 / Chapter §4. --- POSSIBLE IMPROVEMENT / Chapter §4.1 --- Training and Test Sample Reduction --- p.46 / Chapter §4.2 --- Noise Filtering --- p.46 / Chapter §4.3 --- Decision with Overlapping --- p.52 / Chapter §4.4 --- Back Tracking for Holes --- p.56 / Chapter §4.5 --- Fuzzy Decision with Tolerance Limit --- p.59 / Chapter §4.6 --- Different Tree Architecture --- p.63 / Chapter §4.7 --- Building Decision Tree by Entropy Reduction Method --- p.65 / Chapter §5. --- EXPERIMENTAL RESULTS & THE IMPROVED MULTISTAGE CLASSIFIER / Chapter §5.1 --- Experimental Results --- p.70 / Chapter §5.2 --- Conclusion --- p.81 / Chapter §6. --- IMPROVED MULTISTAGE TREE CLASSIFIER / Chapter §6.1 --- The Optimal Multistage Tree Classifier --- p.83 / Chapter §6.2 --- Performance Analysis --- p.84 / Chapter §7. --- FURTHER DISCRIMINATION BY CONTEXT CONSIDERATION --- p.87 / Chapter §8. --- CONCLUSION / Chapter §8.1 --- Advantage of the Classifier --- p.89 / Chapter §8.2 --- Limitation of the Classifier --- p.90 / Chapter §9. --- AREA OF FUTURE RESEARCH AND IMPROVEMENT / Chapter §9.1 --- Detailed Analysis at Each Terminal Node --- p.91 / Chapter §9.2 --- Improving the Noise Filtering Technique --- p.92 / Chapter §9.3 --- The Use of 4 Corner Code --- p.93 / Chapter §9.4 --- Increase in the Dimension of the Feature Space --- p.95 / Chapter §9.5 --- 1-Tree Protocol with Entropy Reduction --- p.96 / Chapter §9.6 --- The Use of Human Intelligence --- p.97 / APPENDICES / Chapter A.1 --- K-MEANS / Chapter A.2 --- Maximum Distance Algorithm & ISODATA Algorithm / Chapter A.3 --- Approach Two - Supervised Learning / Chapter A.4 --- Theories on Statistical Discriminant Analysis / Chapter A.5 --- An Example of Misclassification Table / Chapter A.6 --- "Listing of the Program ""CHDIS.C""" / Chapter A.7 --- Further Discrimination by Context Consideration / Chapter A.8 --- Passage used in Testing the Performance of the Classifier with Context Consideration / Chapter A.9 --- A Partial List of Semantically Related Chinese Characters / REFERENCE
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Bayesian analysis of a 2 x 2 contingency table with prior beliefs of association.January 1995 (has links)
by Wai-chuen Tso. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1995. / Includes bibliographical references (leaves 90-94). / Chapter 1 --- Introduction --- p.1 / Chapter 2 --- Prior Information --- p.5 / Chapter 2.1 --- Prior Distribution --- p.6 / Chapter 2.2 --- Quantification of Prior Belief --- p.10 / Chapter 2.2.1 --- Prior Belief --- p.10 / Chapter 2.2.2 --- Some Basic Concepts of Fuzzy Set Theory --- p.12 / Chapter 2.2.3 --- Quantification --- p.16 / Chapter 2.3 --- Specification and Determination of Model Parameters --- p.20 / Chapter 2.3.1 --- A Questionnaire --- p.21 / Chapter 2.3.2 --- Parameter Value --- p.22 / Chapter 2.3.3 --- Determination of Degree of Fuzziness --- p.23 / Chapter 2.4 --- Comments --- p.26 / Chapter 2.4.1 --- Interpretation of Time Length of Poisson Process --- p.26 / Chapter 2.4.2 --- Likelihood Interpretation of Membership Value --- p.28 / Chapter 2.4.3 --- Comparison with Existing Modeling --- p.30 / Chapter 2.4.4 --- Conclusion of Prior Information --- p.31 / Chapter 3 --- Posterior Analysis --- p.33 / Chapter 3.1 --- Posterior Analysis by Monte Carlo Method --- p.34 / Chapter 3.1.1 --- Monte Carlo Method --- p.34 / Chapter 3.1.2 --- Estimation of Posterior Mean and Posterior Variance of Log-odds Ratio --- p.35 / Chapter 3.1.3 --- Construction of Credible Region of Log-odds Ratio --- p.38 / Chapter 3.1.4 --- Estimation of Posterior Mean of Cell Probability --- p.41 / Chapter 3.2 --- Sampling of Prior Cell Frequency Vector by Gibbs Sampler --- p.42 / Chapter 3.2.1 --- Gibbs Sampler --- p.42 / Chapter 3.2.2 --- Two Sampling Algorithms --- p.45 / Chapter 3.2.3 --- Acceptance-Rejection Algorithm --- p.50 / Chapter 3.3 --- Some Practical Problems --- p.51 / Chapter 3.3.1 --- Number of Iterations in Gibbs Sampler --- p.51 / Chapter 3.3.2 --- Sample Size of Gibbs Sample --- p.53 / Chapter 4 --- Simulation Study --- p.58 / Chapter 4.1 --- Multinomial Model --- p.59 / Chapter 4.1.1 --- Determination of Number of Iterations --- p.61 / Chapter 4.1.2 --- Determination of Sample Size --- p.62 / Chapter 4.1.3 --- Posterior Estimation --- p.63 / Chapter 4.1.4 --- Sensitivity Analysis --- p.64 / Chapter 4.2 --- Poisson Model --- p.71 / Chapter 4.2.1 --- Determination of Number of Iterations --- p.72 / Chapter 4.2.2 --- Determination of Sample Size --- p.73 / Chapter 4.2.3 --- Posterior Estimation --- p.74 / Chapter 4.2.4 --- Sensitivity Analysis --- p.75 / Chapter 4.3 --- Conclusion --- p.82 / Chapter 5 --- Conclusions and Discussions --- p.85 / References --- p.90
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Ab initio study of the structures, reactions, and energetics of some novel chemical species.January 1999 (has links)
Lau Kai-Chung. / Thesis (M.Phil.)--Chinese University of Hong Kong, 1999. / Includes bibliographical references. / Abstracts in English and Chinese. / Abstract / Acknowledgements / Table of Contents / Chapter Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- The Gaussian-2 Method / Chapter 1.2 --- The G2 Method with Reduced M φller-Plesset Order and Basis Set / Chapter 1.3 --- The Gaussian-3 Method / Chapter 1.4 --- Our Modified G2 Methods / Chapter 1.5 --- Calculation of Thermodynamical Data / Chapter 1.6 --- Scope of the Thesis / Chapter 1.7 --- Remark on the Location of Transition Structures / Chapter 1.8 --- References / Chapter Chapter 2 --- A Gaussian-2 Study of the [C2H5O-] Potential Energy Surface and the Fragmentation Pathways of the Ethoxide Anion --- p.7 / Chapter 2.1 --- Introduction / Chapter 2.2 --- Theoretical Methods / Chapter 2.3 --- Results and Discussion / Chapter 2.3.1 --- Stable Isomers and TSs for the [C2H50-] Anions / Chapter 2.3.2 --- Fragmentation Pathways of the Ethoxide Anion (1-) / Chapter 2.4 --- Conclusions / Chapter 2.5 --- Publication Note / Chapter 2.6 --- References / Chapter Chapter 3 --- A Gaussian-2 Study of Isomeric C2H2N and C2H2N+ --- p.20 / Chapter 3.1 --- Introduction / Chapter 3.2 --- Theoretical Methods / Chapter 3.3 --- Results and Discussion / Chapter 3.3.1 --- The C2H2N and C2H2N+ Isomers / Chapter 3.3.2 --- The Cyanomethyl Radical (1) and Cation (1+) / Chapter 3.3.3 --- The Isocyanomethyl Radical (2) and Cation (2+) / Chapter 3.3.4 --- The lH-Azirinyl Radical (5) and Cation (5+) / Chapter 3.3.5 --- Other C2H2N and C2H2N+ Isomers / Chapter 3.3.6 --- The Unidentified C2H2N Isomer Formed in N + CH=CH2 / Chapter 3.4 --- Conclusions / Chapter 3.5 --- Publication Note / Chapter 3.6 --- References / Chapter Chapter 4 --- A Gaussian-2 Study of the Photoionization and Dissociative Photoionization Channels of Ethylene Oxide --- p.35 / Chapter 4.1 --- Introduction / Chapter 4.2 --- Theoretical Methods / Chapter 4.3 --- Results and Discussion / Chapter 4.3.1 --- Bond Cleavage Reactions / Chapter 4.3.2 --- Dissociation Channels Involving Transition Structure(s) / Chapter 4.4 --- Conclusions / Chapter 4.5 --- Publication Note / Chapter 4.6 --- References / Chapter Chapter 5 --- A Gaussian-2 Study of the Photoionization and Dissociative Photoionization Channels of Propylene Oxide --- p.47 / Chapter 5.1 --- Introduction / Chapter 5.2 --- Theoretical Methods / Chapter 5.3 --- Results and Discussion / Chapter 5.3.1 --- Bond Cleavage Reactions / Chapter 5.3.2 --- Dissociation Channels Involving Transition Structure(s) / Chapter 5.4 --- Conclusions / Chapter 5.5 --- Publication Note / Chapter 5.6 --- References / Chapter Chapter 6 --- A Gaussian-3 Study of the Thermochemistry of Chlorofluoromethanes (CFnCl4-n) and Their Cations (CFnCl4_n+), n =0-4 --- p.61 / Chapter 6.1 --- Introduction / Chapter 6.2 --- Theoretical Methods / Chapter 6.3 --- Results and Discussions / Chapter 6.3.1 --- Heats of Formation of Chlorofluoromethanes and Their Cations / Chapter 6.3.2 --- Ionization Energies of Chlorofluoromethanes / Chapter 6.3.3 --- Proton Affinities of Chlorofluoromethanes / Chapter 6.4 --- Conclusions / Chapter 6.5 --- Publication Note / Chapter 6.6 --- References / Chapter Chapter 7 --- "A Gaussian-2 and Gaussian-3 Study of the Energetics and Structures of Cl2On and Cl2On+, n = 1,4, 6,and7" --- p.69 / Chapter 7.1 --- Introduction / Chapter 7.2 --- Theoretical Methods / Chapter 7.3 --- Results and Discussion / Chapter 7.3.1 --- Cl20 and Cl20+ / Chapter 7.3.2 --- Cl204 and Cl204+ / Chapter 7.3.3 --- Cl206 and Cl206+ / Chapter 7.3.4 --- Cl207 and Cl207+ / Chapter 7.4 --- Conclusions / Chapter 7.5 --- Publication Note / Chapter 7.6 --- References / Chapter Chapter 8 --- Conclusions --- p.81 / Chapter Appendix A --- The Gaussian-n (n = 1 - 3) Theoretical Models --- p.82 / Chapter A.1 --- The G1 and G2 theories / Chapter A.2 --- The G2(MP2) theory / Chapter A.3 --- "The G2(MP2,SVP) theory" / Chapter A.4 --- The G3 theory / Chapter Appendix B --- "Calculation of Enthalpy at 298 K, H298" --- p.86
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Gaussian-3 studies of the structures, bonding, and energetics of selected chemical systems.January 2002 (has links)
Law Chi-Kin. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2002. / Includes bibliographical references. / Abstracts in English and Chinese. / Abstract --- p.i / Acknowledgements --- p.iii / Table of Contents --- p.iv / List of Tables --- p.vi / List of Figures --- p.viii / Chapter Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- The Gaussian´ؤ3 Method --- p.1 / Chapter 1.2 --- The G3 Method with Reduced Mφller-Plesset Order and Basis Set --- p.2 / Chapter 1.3 --- The Gaussian-3X Method --- p.2 / Chapter 1.4 --- Calculation of Thermodynamical Data --- p.3 / Chapter 1.5 --- Remark on the Location of Equilibrium and Transition Structures --- p.3 / Chapter 1.6 --- Natural Bond Orbital (NBO) Analysis --- p.4 / Chapter 1.7 --- Scope of the Thesis --- p.4 / Chapter 1.8 --- References --- p.5 / Chapter Chapter 2 --- Gaussian´ؤ3 Heats of Formation for (CH)6 Isomers --- p.6 / Chapter 2.1 --- Introduction --- p.6 / Chapter 2.2 --- Methods of Calculation and Results --- p.7 / Chapter 2.3 --- Discussion --- p.9 / Chapter 2.4 --- Conclusion --- p.11 / Chapter 2.5 --- Publication Note --- p.12 / Chapter 2.6 --- References --- p.12 / Chapter Chapter 3 --- A Gaussian-3 Investigation of N7 Isomers --- p.14 / Chapter 3.1 --- Introduction --- p.14 / Chapter 3.2 --- Computational Method and Results --- p.16 / Chapter 3.3 --- Discussion --- p.16 / Chapter 3.4 --- Conclusion --- p.24 / Chapter 3.5 --- Publication Note --- p.24 / Chapter 3.6 --- References --- p.24 / Chapter Chapter 4 --- A Gaussian-3 Study of N7+ and N7- Isomers --- p.27 / Chapter 4.1 --- Introduction --- p.27 / Chapter 4.2 --- Computational Method and Results --- p.29 / Chapter 4.3 --- Discussion --- p.30 / Chapter 4.3.1 --- The N7+ isomers --- p.30 / Chapter 4.3.2 --- The N7- isomers --- p.37 / Chapter 4.4 --- Conclusion --- p.41 / Chapter 4.5 --- Publication Note --- p.41 / Chapter 4.6 --- References --- p.41 / Chapter Chapter 5 --- "Thermochemistry of Chlorine Fluorides ClFn, n = 1-7, and Their Singly Charged Cations and Anions: A Gaussian-3 and Gaussian-3X Study" --- p.45 / Chapter 5.1 --- Introduction --- p.45 / Chapter 5.2 --- Methods of Calculations --- p.47 / Chapter 5.3 --- Results and Discussion --- p.48 / Chapter 5.3.1 --- Comparison of the G3 and G3X methods --- p.48 / Chapter 5.3.2 --- Assessments of the experimental results --- p.54 / Chapter 5.3.3 --- "Bond dissociation energies of ClFn, ClFn+, and ClFn-" --- p.57 / Chapter 5.3.4 --- Summary of the thermochemical data --- p.58 / Chapter 5.4 --- Conclusion --- p.59 / Chapter 5.5 --- Publication Note --- p.60 / Chapter 5.6 --- References --- p.60 / Chapter Chapter 6 --- A Gaussian-3 Study of the Photoionization and Dissociative Photoionization Channels of Dimethyl Sulfide --- p.63 / Chapter 6.1 --- Introduction --- p.63 / Chapter 6.2 --- Methods of Calculations --- p.64 / Chapter 6.3 --- Results and Discussion --- p.64 / Chapter 6.3.1 --- Bond cleavage reactions --- p.67 / Chapter 6.3.2 --- Dissociation channels involving transition structures --- p.68 / Chapter 6.4 --- Conclusion --- p.70 / Chapter 6.5 --- Publication Note --- p.70 / Chapter 6.6 --- References --- p.70 / Chapter Chapter 7 --- "Theoretical Study of the Electronic Structures of Carbon and Silicon Nanotubes, Carbon and Silicon Nanowires" --- p.72 / Chapter 7.1 --- Introduction --- p.72 / Chapter 7.2 --- Models and Computational Methods --- p.74 / Chapter 7.3 --- Results and Discussion --- p.75 / Chapter 7.4 --- Conclusion --- p.87 / Chapter 7.5 --- Publication Note --- p.87 / Chapter 7.6 --- References --- p.87 / Chapter Chapter 8 --- Conclusion --- p.90 / Appendix A --- p.91 / Appendix B
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Computational studies of the structures, reactions, and energetics of selected cyclic and sterically crowded species.January 2003 (has links)
Cheng Mei-Fun. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2003. / Includes bibliographical references. / Abstracts in English and Chinese. / Abstract --- p.i / Acknowledgements --- p.iii / Table of Contents --- p.iv / List of Tables --- p.vi / List of Figures --- p.viii / Chapter Chapter 1 --- Introduction --- p.1 / Chapter 1.1 --- The Gaussian-3 Method --- p.1 / Chapter 1.2 --- The G3 Method with Reduced Mφller-Plesset Order and Basis Set --- p.2 / Chapter 1.3 --- Density Functional Theory (DFT) --- p.3 / Chapter 1.4 --- Calculation of Thermodynamical Data --- p.3 / Chapter 1.5 --- Remark on the Location of Transition Structures --- p.3 / Chapter 1.6 --- Natural Bond Orbital (NBO) Analysis --- p.4 / Chapter 1.7 --- Scope of the Thesis --- p.4 / Chapter 1.8 --- References --- p.5 / Chapter Chapter 2 --- Heats of Formation for the Azine Series: A Gaussian-3 Study --- p.7 / Chapter 2.1 --- Introduction --- p.7 / Chapter 2.2 --- Methods of Calculation and Results --- p.8 / Chapter 2.3 --- Discussion --- p.8 / Chapter 2.4 --- Conclusion --- p.9 / Chapter 2.5 --- Publication Note --- p.10 / Chapter 2.6 --- References --- p.10 / Chapter Chapter 3 --- Heats of Formation for Some Boron Hydrides: A Gaussian-3 Study --- p.16 / Chapter 3.1 --- Introduction --- p.16 / Chapter 3.2 --- Methods of Calculation and Results --- p.18 / Chapter 3.3 --- Discussion --- p.19 / Chapter 3.4 --- Conclusion --- p.21 / Chapter 3.5 --- Publication Note --- p.21 / Chapter 3.6 --- References --- p.21 / Chapter Chapter 4 --- Structural and Energetics Studies of Tri- and Tetra-tert-butylmethane --- p.30 / Chapter 4.1 --- Introduction --- p.30 / Chapter 4.2 --- Methods of Calculation and Results --- p.32 / Chapter 4.3 --- Discussion --- p.34 / Chapter 4.3.1 --- Mono-tert-butylmethane --- p.34 / Chapter 4.3.2 --- Di-tert-butylmethane --- p.35 / Chapter 4.3.3 --- Tri-tert-butylmethane --- p.37 / Chapter 4.3.4 --- Tetra-tert-butylmethane --- p.38 / Chapter 4.4 --- Conclusion --- p.39 / Chapter 4.5 --- Publication Note --- p.40 / Chapter 4.6 --- References --- p.40 / Chapter Chapter 5 --- A Computational Study of the Diels-Alder Reactions Involving Acenes: Reactivity and Aromaticity --- p.49 / Chapter 5.1 --- Introduction --- p.49 / Chapter 5.2 --- Methods of Calculation and Results --- p.50 / Chapter 5.3 --- Discussion --- p.51 / Chapter 5.4 --- Conclusion --- p.53 / Chapter 5.5 --- Publication Note --- p.53 / Chapter 5.6 --- References --- p.53 / Chapter Chapter 6 --- A Computational Study of the Charge- Delocalized and Charge-Localized Forms of the Croconate and Rhodizonate Dianions --- p.65 / Chapter 6.1 --- Introduction --- p.65 / Chapter 6.2 --- Methods of Calculation and Results --- p.67 / Chapter 6.3 --- Discussion --- p.68 / Chapter 6.3.1 --- Charge-Localized Forms of C5052- (C2v) and C6O6 2-(C2v) --- p.68 / Chapter 6.3.2 --- Charge-Delocalized Forms of C5052- (D5h) and C6062- (D6h) --- p.71 / Chapter 6.4 --- Conclusion --- p.72 / Chapter 6.5 --- Publication Note --- p.73 / Chapter 6.6 --- References --- p.74 / Chapter Chapter 7 --- Conclusion --- p.89 / Appendix A --- p.90 / Appendix B --- p.92
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