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Formation of supramolecular structures in aqueous solution and their interactions with surfacesSaulzet, Sylvie Isabelle January 1999 (has links)
No description available.
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Computational analysis of intramolecular interactions in proteinsMcDonald, Ian Kevin January 1996 (has links)
No description available.
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New chemistry of icosahedral carborane derivativesHibbert, Thomas Gibson January 1997 (has links)
No description available.
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Generation-independent dimerization behavior of quadruple hydrogen bond-containing oligo(benzyl ether) dendrons.January 2006 (has links)
Wong Chun Ho. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2006. / Includes bibliographical references (leaves 72-77). / Abstracts in English and Chinese. / Contents --- p.i / Acknowledgments --- p.iii / Abstract --- p.iv / Abbreviations and acronyms --- p.vi / Publications originated from the work of this thesis --- p.viii / Chapter Chapter 1 - --- Dendritic Macromolecules and Dendronized Polymers / Chapter 1.1 --- Introduction to Dendrimers and Dendronized Polymers --- p.1 / Chapter 1.2 --- Overview of the Synthesis of Dendronized Polymers --- p.4 / Chapter 1.2.1 --- Graft-from Approach --- p.4 / Chapter 1.2.2 --- Graft-to Approach --- p.5 / Chapter 1.2.3 --- Macromonomer Approach --- p.6 / Chapter 1.2.3.1 --- Step Growth Polymerization --- p.6 / Chapter 1.2.3.2 --- Chain Growth Polymerization --- p.8 / Chapter 1.2.3.3 --- Supramolecular Polymerization --- p.9 / Chapter Chapter 2 - --- En Route to Hydrogen Bond-Mediated. Supramolecular Dendronized Polymers / Chapter 2.1 --- Design of Supramolecular Dendronized Polymers --- p.15 / Chapter 2.1.1 --- Binding Modes in Supramolecular Polymers --- p.15 / Chapter 2.1.1.1 --- Hetero-Complementary Polymerization --- p.16 / Chapter 2.1.1.2 --- Self-Complementary Polymerization --- p.17 / Chapter 2.1.2 --- The Effect of Binding Constant on the Degrees of Polymerization --- p.18 / Chapter 2.1.3 --- The Effect of Dimerization Constant on the Molecular Weight Distribution --- p.21 / Chapter 2.1.4 --- The Dendritic Effect on the UPy Binding Behavior --- p.21 / Chapter 2.2 --- Summary --- p.24 / Chapter Chapter 3 - --- "Design, Synthesis, and Structural Characterization of Dendronized Dimers" / Chapter 3.1 --- Design of Dendronized Dimers --- p.25 / Chapter 3.1.1 --- The Nature of R and R on the Dimerization Behavior --- p.25 / Chapter 3.1.2 --- Selection of Dendrons --- p.26 / Chapter 3.1.3 --- Positioning of Dendrons and the Synthetic Feasibility --- p.27 / Chapter 3.2 --- Synthesis of Dendronized Dimers --- p.28 / Chapter 3.3 --- Characterizations of the Intermediates and Target Dimers --- p.31 / Chapter 3.3.1 --- 1H NMR Spectroscopy --- p.31 / Chapter 3.3.2 --- 13C NMR Spectroscopy --- p.38 / Chapter 3.3.3 --- Mass Spectrometry --- p.41 / Chapter 3.3.4 --- Vapor Pressure Osmometry --- p.43 / Chapter 3.3.5 --- Infrared Spectroscopy --- p.43 / Chapter 3.3.6 --- Gel Permeation Chromatography --- p.44 / Chapter 3.4 --- Conclusions --- p.46 / Chapter Chapter 4 - --- Determination of Dimerization Constants / Chapter 4.1 --- Overview of the Self-Assembling Process in UPy System --- p.47 / Chapter 4.2 --- Determination of the Dimerization Constants (Kdim*) --- p.49 / Chapter 4.2.1 --- Dimerization Constants in CDCl3 at 25 °C --- p.50 / Chapter 4.2.2 --- Dimerization Constants in 10% (v/v) DMSO-d6/CDCl3 at 25 °C --- p.53 / Chapter 4.2.3 --- Dimerization Constants in CDCl3 at 50 °C --- p.56 / Chapter 4.3 --- Heterodimerization Experiment --- p.56 / Chapter 4.4 --- Conclusions --- p.57 / Chapter Chapter 5 - --- Experimental Procedures / Chapter 5.1 --- General Information --- p.60 / Chapter 5.2 --- General Synthetic Procedures --- p.61 / Chapter 5.3 --- Experimental Procedures --- p.62 / References --- p.72 / Appendix / NMR Spectra --- p.78 / GPC results --- p.119
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DFT study of three-centered hydrogen bond in DNA base pairs.January 2005 (has links)
Chiu Lai Fan. / Thesis submitted in: December 2004. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2005. / Includes bibliographical references (leaves [74-77]). / Abstracts in English and Chinese. / ABSTRACT (ENGLISH) --- p.iii / ABSTRACT (CHINESE) --- p.v / ACKNOWLEDGMENTS --- p.vi / TABLE OF CONTENTS --- p.vii / LIST OF FIGURES --- p.ix / LIST OF TABLES --- p.xi / LIST OF SYMBOLS --- p.xiii / Chapter CHAPTER ONE --- INTRODUCTION AND BACKGROUND --- p.1 / Chapter 1.1 --- Introduction --- p.1 / Chapter 1.2 --- The nature of hydrogen bonding interactions --- p.2 / Chapter 1.3 --- Evidences of hydrogen bonding interactions --- p.4 / Chapter 1.4 --- Three-centered hydrogen bond --- p.4 / Chapter 1.4.1 --- Literature review of three-centered H-bonds --- p.6 / Chapter 1.4.2 --- Review of three-centered H-bonds characterization --- p.8 / Chapter 1.5 --- Cooperative effect --- p.12 / Chapter 1.6 --- Scope of thesis --- p.13 / Chapter CHAPTER TWO --- THEORY AND METHODOLOGY --- p.15 / Chapter 2.1 --- Introduction --- p.15 / Chapter 2.2 --- Theory --- p.16 / Chapter 2.2.1 --- Density Functional Theory (DFT) --- p.16 / Chapter 2.2.2 --- Natural Bonding Orbital Theory (NBO) --- p.19 / Chapter 2.2.3 --- Spin-Spin coupling constants --- p.22 / Chapter 2.2.4 --- Wiberg Bond Index --- p.24 / Chapter 2.3 --- Methodology --- p.25 / Chapter CHAPTER THREE --- RESULTS AND DISCUSSION --- p.32 / Chapter 3.1 --- The nature of three-centered hydrogen bond interaction --- p.32 / Chapter 3.1.1 --- Geometries --- p.32 / Chapter 3.1.2 --- Natural bond orbital analysis - Donor-acceptor interactions --- p.41 / Chapter 3.1.3 --- Spin-Spin coupling across the hydrogen bonds --- p.46 / Chapter 3.1.4 --- Wiberg bond index --- p.51 / Chapter 3.1.5 --- Proton transfer -Hydrogen bond strengths on the effect of remote proton transfer --- p.53 / Chapter 3.1.6 --- Cooperactive character in hydrogen bonding clusters --- p.65 / Chapter CHAPTER FOUR --- CONCLUSING REMARKS --- p.71 / REFERENCES / APPENDIX
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Sequence context effect on base pairing modes of T·T mismatches.January 2011 (has links)
He, Guoyun. / Thesis (M.Phil.)--Chinese University of Hong Kong, 2011. / Includes bibliographical references (leaves 62-69). / Abstracts in English and Chinese. / Title Page --- p.i / Abstract (English Version) --- p.iv / Abstract (Chinese Version) --- p.v / Acknowledgement --- p.vi / List of Tables --- p.ix / List of Figures --- p.x / List of Abbreviations and Symbols --- p.xii / Chapter Chapter One: --- Introduction --- p.1 / Chapter 1.1 --- Mismatches in DNA Duplex --- p.1 / Chapter 1.2 --- T.T Mismatches in DNA Duplex --- p.5 / Chapter 1.3 --- Purpose of the Work --- p.7 / Chapter 1.4 --- DNA Structure --- p.7 / Chapter 1.4.1 --- Structure and Nomenclature of Nucleotide --- p.7 / Chapter 1.4.2 --- Base Pairing --- p.8 / Chapter 1.4.3 --- Double Helical DNA Conformation --- p.9 / Chapter Chapter Two: --- Materials and Methods --- p.10 / Chapter 2.1 --- Sample Design --- p.10 / Chapter 2.2 --- Sample Preparation --- p.11 / Chapter 2.3 --- NMR Study --- p.11 / Chapter 2.3.1 --- Non-labile Proton Resonance Assignment --- p.12 / Chapter 2.3.2 --- Labile Proton Resonance Assignment in Normal Base Pairs --- p.13 / Chapter 2.3.3 --- Method to Determine T.T Pairing Mode --- p.14 / Chapter Chapter Three: --- Determination of T.T Pairing Mode --- p.16 / Chapter 3.1 --- NMR Resonance Assignment --- p.16 / Chapter 3.2 --- Result --- p.18 / Chapter 3.2.1 --- Preferential Pairing Mode: W --- p.18 / Chapter 3.2.2 --- Preferential Pairing Mode: W --- p.19 / Chapter 3.2.3 --- Exchanging and Pairing Modes --- p.20 / Chapter 3.3 --- Discussion --- p.23 / Chapter 3.3.1 --- Patterns of T.T Pairing Mode --- p.23 / Chapter 3.3.2 --- Reason for Preferential Pairing Mode --- p.24 / Chapter 3.3.3 --- Temperature Effect on T.T Pairing Mode --- p.26 / Chapter Chapter Four: --- Conclusions and Future Works --- p.29 / Chapter Appendix I: --- NOESY and WATERGATER-NOESY Assignment --- p.30 / Chapter Appendix II: --- Chemical Shifts of XTY --- p.46 / References --- p.62
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Vibrational sum-frequency spectroscopic investigations of hydrogen-bonding interactions at the vapor/water interface /Raymond, Elizabeth A., January 2003 (has links)
Thesis (Ph. D.)--University of Oregon, 2003. / Typescript. Includes vita and abstract. Includes bibliographical references (leaves 140-147). Also available for download via the World Wide Web; free to University of Oregon users.
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Graph invariants a tool to analyze hydrogen bonding in ice and water clusters /Kuo, Jer-Lai, January 2003 (has links)
Thesis (Ph. D)--Ohio State University, 2003. / Title from first page of PDF file. Document formatted into pages; contains xiv, 108 p.: ill. (some col.). Includes abstract and vita. Advisor: Sherwin J. Singer, Dept. of Chemistry. Includes bibliographical references (p. 100-108).
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H-bond directed self-assembly of oligomeric molecular strands and hydrogen mediated rhodium-catalyzed reductive cyclization of 1,6-enynesGong, Hegui 28 August 2008 (has links)
Not available / text
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Intermolecular and intramolecular hydrogen bonding in 8-quinolinol and 2-methyl-8-quinolinolSwartz, William Richard, 1945- January 1969 (has links)
No description available.
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