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Hypercube Educational Publications The first book in this series is "Laboratory Experiments Using HyperChem" by Mary L. Caffery, Paul A. Dobosh, and Diane M. Richardson. LABORATORY EXPERIMENTS USING HYPERCHEM The principal purpose of this book is to provide a source for college faculty members interested in including molecular modeling in their courses. Readers will find exercises that can be used in courses ranging from general chemistry to upper division biochemistry. Indeed, it even includes simple exercises for courses for non-science majors. With software like HyperChem, chemical educators have the advantage of a powerful tool that not only brings real educational value, but also has a substantial impact on how chemistry is done in the workplace. The use of molecular modeling tools should become as common in the undergraduate chemistry curriculum as a simple spectrophotometer or pH meter! Table of Contents Chapter 1. Building and Visualizing Molecules 1. Building Small Molecules 2. Visualizing Structure and Charge Distribution 3. Stereoisomers: Carvone and Hexahellicene 4. The Steroid Nucleus and Cholesterol 5. Alkaloids: Acetylcholine Impersonators 6. Polypeptides and Proteins 7. Nucleotides: DNA and RNA Mutation 8. Building Coordination Complexes Chapter 2. Molecular Geometry and Properties 9. Periodicity: Bond Lengths and Bond Angles 10. Valence Shell Electron Repulsion Theory and Dipole Moments 11. Ionization Energy 12. Proton Affinity 13. Electron Affinity 14. Periodicity of Bond Enthalpy 15. Structure-Stability Relationships for Alkali Metal Crown Ether Complexes 16. The Acidity of Oxoacids Chapter 3. Molecular Orbitals and Bonding 17. Exploring the Formation of Molecular Orbitals - 1 18. Exploring the Formation of Molecular Orbitals - 2 19. Fragment Molecular Orbitals: Ethene and Formaldehyde 20. Walsh Diagrams for H2X Molecules 21. The Jahn-Teller Effect Chapter 4. Conformational Analysis 22. Small Molecule Conformational Analysis by Hand 23. Small Molecule Conformation Analysis Using Macros 24. The "Peptide Bond" in N-methylacetamide 26. Stable Conformers of the Alanine Dipeptide 27. The Inversion Barrier in Ammonia and Aniline Chapter 5. Thermodynamics 28. Heats of Formation of Conjugated Hydrocarbons 29. The Heat of Combustion of Fuels 30. Dehydration of 1-Butanol and the Relative Stability of Alkenes 31. Stability of Dibenzalacetone Isomers 32. Intermolecular Hydrogen Bonding 33. Steric Energies of Cubanes: The Stability of Explosives 34. Tautomerism and Protonation of 7-Aminopyrazolo pyrimidine 35. Resonance Energy of Benzene and Hexasilabenzene 36. Flavin Redox Chemistry Chapter 6. Charge Distributions 37. Permanent Dipole Moments 38. Dipole Moment of Flexible Molecules 39. The Effect of Dielectric Medium on Rotational States 40. Charge Transfer and Excited State Dipole Moments Chapter 7. Spectroscopy 41. UV Spectra of Polycyclic Aromatic Hydrocarbons 42. Vibrational Spectra 43. The Spectra of Visual Pigments 44. Solvent Effects on Spectra Chapter 8. Molecular Dynamics 45. Molecular Reaction Movies 46. Stability of Carbocations 47. Conformation Search Techniques using Molecular Dynamics 48. Simulated Annealing 49. Langevin Dynamics 50. Intramolecular Vibrations Chapter 9. Teaching Notes and Results Suggested Courses Results |
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