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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
381

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]
382

Chinese character processing.

January 1987 (has links)
by Yeung Chuen-sang. / Thesis (M.Ph.)--Chinese University of Hong Kong, 1987. / Bibliography: leaves 190-194.
383

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
384

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
385

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
386

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
387

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
388

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
389

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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