BONDING AND STRUCTURE IN SOLIDS

By S. HILIU

ATOMIC CHARGES AND CHEMICAL BONDING IN Y-GA COMPOUNDS ? ABSTRACT ? INTRODUCTION ? METHODS ? RESULTS AND DISCUSSION ? CONCLUSIONS ? REFERENCES CHAPTER REFLECTIONS ON A THREE-YEAR-LONG TEACHER-CENTERED, PARTICIPATORY ACTION RESEARCH EXPERIENCE ON TEACHING CHEMICAL BONDING IN A SWISS VOCATIONAL SCHOOL ? THEORETICAL FRAMEWORK ? A CASE ON TEACHING CHEMICAL BONDING IN A SWISS VOCATIONAL SCHOOL BY STUDENT-ACTIVE PEDAGOGIES ? REFLECTIONS AND CONCLUSIONS BONDING CHARACTERISTICS OF TIC AND TIN ? THEORY ? AB INITIO METHOD ? RESULTS AND ANALYSIS ? CONCLUSION HIGH-PRESSURE SYNTHESIS AND CHEMICAL BONDING OF BARIUM TRISILICIDE BASI3 ? MATERIALS AND METHODS ? RESULTS AND DISCUSSION SYNTHESIS OF A POLYIMIDE POROUS PORPHYRIN POLYMER FOR SELECTIVE CO2 CAPTURE ? EXPERIMENTAL PROCEDURES ? SYNTHESIS OF PYP ? CALCULATION OF ISOSTERIC HEAT OF ADSORPTION ? ACKNOWLEDGMENTS RESEARCH ON INTERLAYER ALLOYS FOR TRANSIENT LIQUID PHASE DIFFUSION BONDING OF SINGLE CRYSTAL NICKEL BASE SUPERALLOY DD6 ? DESIGN OF INTERLAYER ALLOYS ? PREPARATION OF THE INTERLAYER ALLOYS ? DD6 TLP BONDING ? ACKNOWLEDGEMENTS DENSITY FUNCTIONAL STUDY OF ELECTRONIC, MAGNETIC AND CHEMICAL BONDING PROPERTIES OF SPINEL CDCR2O4 ? METHODOLOGY ? RESULTS BONDING OF TRIP-STEEL/AL2O3-(3Y)-TZP COMPOSITES AND (3Y)-TZP CERAMIC BY A SPARK PLASMA SINTERING (SPS) APPARATUS ? MATERIALS AND METHODS QUANTUM CHEMICAL CHARACTERIZATION OF HYDROGEN BONDING SITES IN THREE 4-(4-HALO-PHENYL)-6-(FURAN-2-YL) PYRIMIDIN-2-AMINE DERIVATIVES ? COMPUTATIONAL DETAILS CHAPTER 10 SYNTHESIS, CHARACTERIZATION, AND PHYSICOCHEMICAL STUDIES OF MIXED LIGAND COMPLEXES OF INNER TRANSITION METALS WITH LANSOPRAZOLE AND CYTOSINE ? EXPERIMENTAL ? RESULT AND DISCUSSION ? ANALYTICAL DATA OF COMPLEXES ? ELEMENTAL ANALYSIS ? ANTIFUNGAL ACTIVITY CHAPTER 11 THE CRYSTAL ORBITAL HAMILTON POPULATION (COHP) METHOD AS A TOOL TO VISUALIZE AND ANALYZE CHEMICAL BONDING IN INTERMETALLIC COMPOUNDS ? THE COHP METHOD—AN INTRODUCTION ? APPLICATIONS OF THE COHP METHOD TO INTERMETALLIC COMPOUNDS CHAPTER 12 SYNTHESIS, CRYSTAL STRUCTURE, AND CHEMICAL-BONDING ANALYSIS OF BAZN(NCN)2 ? DISCUSSION ? EXPERIMENTAL AND COMPUTATIONAL DETAILS CHAPTER 13 PROTEIN STRUCTURE VALIDATION AND REFINEMENT USING AMIDE PROTON CHEMICAL SHIFTS DERIVED FROM QUANTUM MECHANICS ? SUPPORTING INFORMATION